N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide

C22H21ClN6O — CID 134178243

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C
InChIInChI=1S/C22H21ClN6O/c1-13-16(4-6-21(24)27-13)9-26-22(30)19-12-29(28-14(19)2)11-15-3-5-20-17(7-15)8-18(23)10-25-20/h3-8,10,12H,9,11H2,1-2H3,(H2,24,27)(H,26,30)
InChIKeyVMLILBWSDVWDGN-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.66
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 134178243) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID134178243
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C
InChIInChI=1S/C22H21ClN6O/c1-13-16(4-6-21(24)27-13)9-26-22(30)19-12-29(28-14(19)2)11-15-3-5-20-17(7-15)8-18(23)10-25-20/h3-8,10,12H,9,11H2,1-2H3,(H2,24,27)(H,26,30)
InChIKeyVMLILBWSDVWDGN-UHFFFAOYSA-N
XLogP3.66
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

8-(2-amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 74222277
6-{[2,6-Dichloro-4-(1H-pyrazol-5-yl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436022
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
3-Pyridinecarboxamide, 6-chloro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]-
CID 25025509
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 53465992
5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393887
5-Amino-1-tert-butyl-3-quinolin-6-ylpyrazole-4-carboxamide
CID 76313927
5-Amino-1-tert-butyl-3-(7-chloroquinolin-3-yl)pyrazole-4-carboxamide
CID 86342109
US10981893, Example 22
CID 124173195
N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
CID 129103576
N-[1-(3-chloro-5-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135125802

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide (CID 134178243) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is VMLILBWSDVWDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-13-16(4-6-21(24)27-13)9-26-22(30)19-12-29(28-14(19)2)11-15-3-5-20-17(7-15)8-18(23)10-25-20/h3-8,10,12H,9,11H2,1-2H3,(H2,24,27)(H,26,30).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 134178243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).