5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane

C53H58Cl2N10O5 — CID 157370142

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
SMILESC.COCCNc1ccc(CN)c(C)n1.COCCNc1ccc(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C)n1.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C26H26ClN5O2.C16H11ClN2O2.C10H17N3O.CH4/c1-17-20(4-6-25(32-17)29-9-10-34-2)15-31-26(33)19-7-8-28-23(14-19)12-18-3-5-24-21(11-18)13-22(27)16-30-24;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-8-9(7-11)3-4-10(13-8)12-5-6-14-2;/h3-8,11,13-14,16H,9-10,12,15H2,1-2H3,(H,29,32)(H,31,33);1-5,7-9H,6H2,(H,20,21);3-4H,5-7,11H2,1-2H3,(H,12,13);1H4
InChIKeyBJQYCKRDJFFKTB-UHFFFAOYSA-N
MW986.02 g/mol
LogP9.68
Rot. Bonds17

About 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane

5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane (PubChem CID 157370142) has the molecular formula C53H58Cl2N10O5 and a molecular weight of 986.02 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
PubChem CID157370142
Molecular FormulaC53H58Cl2N10O5
Molecular Weight986.02 g/mol
Exact Mass984.40
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
SMILESC.COCCNc1ccc(CN)c(C)n1.COCCNc1ccc(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C)n1.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C26H26ClN5O2.C16H11ClN2O2.C10H17N3O.CH4/c1-17-20(4-6-25(32-17)29-9-10-34-2)15-31-26(33)19-7-8-28-23(14-19)12-18-3-5-24-21(11-18)13-22(27)16-30-24;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-8-9(7-11)3-4-10(13-8)12-5-6-14-2;/h3-8,11,13-14,16H,9-10,12,15H2,1-2H3,(H,29,32)(H,31,33);1-5,7-9H,6H2,(H,20,21);3-4H,5-7,11H2,1-2H3,(H,12,13);1H4
InChIKeyBJQYCKRDJFFKTB-UHFFFAOYSA-N
XLogP9.68
TPSA212.28 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.02
LogP ≤ 59.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane with MolForge

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Related Compounds

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US11866436, Example 30
CID 164915179
US11866436, Example 31
CID 164915239
US11866436, Example 6
CID 169018119
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 212
CID 124181946
US10308637, Example 209
CID 124181955

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane (CID 157370142) is 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane is C.COCCNc1ccc(CN)c(C)n1.COCCNc1ccc(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C)n1.O=C(O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
The InChIKey is BJQYCKRDJFFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2.C16H11ClN2O2.C10H17N3O.CH4/c1-17-20(4-6-25(32-17)29-9-10-34-2)15-31-26(33)19-7-8-28-23(14-19)12-18-3-5-24-21(11-18)13-22(27)16-30-24;17-13-7-12-5-10(1-2-15(12)19-9-13)6-14-8-11(16(20)21)3-4-18-14;1-8-9(7-11)3-4-10(13-8)12-5-6-14-2;/h3-8,11,13-14,16H,9-10,12,15H2,1-2H3,(H,29,32)(H,31,33);1-5,7-9H,6H2,(H,20,21);3-4H,5-7,11H2,1-2H3,(H,12,13);1H4.
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane has a molecular weight of 986.02 g/mol, XLogP of 9.68, 17 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-N-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane is sourced from PubChem (CID 157370142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).