5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane

C49H43Cl2F7N10O3 — CID 158440791

IUPAC5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
SMILESCc1nc(N)cc(C(F)(F)F)c1CN.Cc1nc(N)cc(C(F)(F)F)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.[2H]CF
InChIInChI=1S/C24H19ClF3N5O.C16H11ClN2O2.C8H10F3N3.CH3F/c1-13-19(20(24(26,27)28)10-22(29)33-13)12-32-23(34)15-4-5-30-18(9-15)7-14-2-3-21-16(6-14)8-17(25)11-31-21;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-4-5(3-12)6(8(9,10)11)2-7(13)14-4;1-2/h2-6,8-11H,7,12H2,1H3,(H2,29,33)(H,32,34);1-5,7-9H,6H2,(H,20,21);2H,3,12H2,1H3,(H2,13,14);1H3/i;;;1D
InChIKeyHCUDLSFEEVXTJI-PBJKEDEQSA-N
MW1024.85 g/mol
LogP10.72
Rot. Bonds9

About 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane

5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane (PubChem CID 158440791) has the molecular formula C49H43Cl2F7N10O3 and a molecular weight of 1024.85 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane.

Molecular Properties

Compound Name5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
PubChem CID158440791
Molecular FormulaC49H43Cl2F7N10O3
Molecular Weight1024.85 g/mol
Exact Mass1023.28
IUPAC Name5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
SMILESCc1nc(N)cc(C(F)(F)F)c1CN.Cc1nc(N)cc(C(F)(F)F)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.[2H]CF
InChIInChI=1S/C24H19ClF3N5O.C16H11ClN2O2.C8H10F3N3.CH3F/c1-13-19(20(24(26,27)28)10-22(29)33-13)12-32-23(34)15-4-5-30-18(9-15)7-14-2-3-21-16(6-14)8-17(25)11-31-21;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-4-5(3-12)6(8(9,10)11)2-7(13)14-4;1-2/h2-6,8-11H,7,12H2,1H3,(H2,29,33)(H,32,34);1-5,7-9H,6H2,(H,20,21);2H,3,12H2,1H3,(H2,13,14);1H3/i;;;1D
InChIKeyHCUDLSFEEVXTJI-PBJKEDEQSA-N
XLogP10.72
TPSA221.80 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.85
LogP ≤ 510.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane with MolForge

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Related Compounds

US10023557, Example 102
CID 118665170
US10023557, Example 89
CID 118665263
US10023557, Example 165
CID 124181873
US10023557, Example 93
CID 118665155
US10023557, Example 95
CID 118665172
US10023557, Example 94
CID 118665190
US10023557, Example 92
CID 118665210
US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 84
CID 118665404
US10023557, Example 212
CID 124181946
US10308637, Example 209
CID 124181955

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane?
The IUPAC name of 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane (CID 158440791) is 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane.
What is the SMILES notation for 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane?
The canonical SMILES for 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane is Cc1nc(N)cc(C(F)(F)F)c1CN.Cc1nc(N)cc(C(F)(F)F)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.[2H]CF.
What is the InChIKey of 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane?
The InChIKey is HCUDLSFEEVXTJI-PBJKEDEQSA-N. The full InChI is InChI=1S/C24H19ClF3N5O.C16H11ClN2O2.C8H10F3N3.CH3F/c1-13-19(20(24(26,27)28)10-22(29)33-13)12-32-23(34)15-4-5-30-18(9-15)7-14-2-3-21-16(6-14)8-17(25)11-31-21;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-4-5(3-12)6(8(9,10)11)2-7(13)14-4;1-2/h2-6,8-11H,7,12H2,1H3,(H2,29,33)(H,32,34);1-5,7-9H,6H2,(H,20,21);2H,3,12H2,1H3,(H2,13,14);1H3/i;;;1D.
What are the key properties of 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane?
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane has a molecular weight of 1024.85 g/mol, XLogP of 10.72, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane is sourced from PubChem (CID 158440791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).