N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine

C38H31Cl2F9N8O — CID 159737376

IUPACN-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(F)(F)F)cc(Cl)n1.Cc1cc(C(F)(F)F)cc(N)n1.Cc1nc(N)cc(C(F)(F)F)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClF3N5O.C7H5ClF3N.C7H7F3N2/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;1-4-2-5(7(9,10)11)3-6(8)12-4;1-4-2-5(7(8,9)10)3-6(11)12-4/h2-6,8-11H,7,12H2,1H3,(H2,29,33)(H,32,34);2-3H,1H3;2-3H,1H3,(H2,11,12)
InChIKeyNBZVJWCWQUBISX-UHFFFAOYSA-N
MW857.61 g/mol
LogP10.16
Rot. Bonds5

About N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;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-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159737376) has the molecular formula C38H31Cl2F9N8O and a molecular weight of 857.61 g/mol. Its IUPAC name is N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID159737376
Molecular FormulaC38H31Cl2F9N8O
Molecular Weight857.61 g/mol
Exact Mass856.19
IUPAC NameN-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(F)(F)F)cc(Cl)n1.Cc1cc(C(F)(F)F)cc(N)n1.Cc1nc(N)cc(C(F)(F)F)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClF3N5O.C7H5ClF3N.C7H7F3N2/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;1-4-2-5(7(9,10)11)3-6(8)12-4;1-4-2-5(7(8,9)10)3-6(11)12-4/h2-6,8-11H,7,12H2,1H3,(H2,29,33)(H,32,34);2-3H,1H3;2-3H,1H3,(H2,11,12)
InChIKeyNBZVJWCWQUBISX-UHFFFAOYSA-N
XLogP10.16
TPSA145.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.61
LogP ≤ 510.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 53465992
5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393819
5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393887
US10981893, Example 22
CID 124173195
2-amino-N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830880
5-(3-chloroanilino)-N-(2,2-difluoroethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861575
N-(3-aminopropyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861588
5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392127
5-(2-chloroanilino)-N-propan-2-ylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393893
5-(2-chloroanilino)-N-(2-methylpropyl)benzo[c][2,6]naphthyridine-7-carboxamide
CID 57395624
2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide
CID 127026187

Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 159737376) is N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(C(F)(F)F)cc(Cl)n1.Cc1cc(C(F)(F)F)cc(N)n1.Cc1nc(N)cc(C(F)(F)F)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NBZVJWCWQUBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O.C7H5ClF3N.C7H7F3N2/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;1-4-2-5(7(9,10)11)3-6(8)12-4;1-4-2-5(7(8,9)10)3-6(11)12-4/h2-6,8-11H,7,12H2,1H3,(H2,29,33)(H,32,34);2-3H,1H3;2-3H,1H3,(H2,11,12).
What are the key properties of N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;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-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 857.61 g/mol, XLogP of 10.16, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-chloro-6-methyl-4-(trifluoromethyl)pyridine;6-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159737376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).