N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide

C22H21ClN6O — CID 58081168

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-25-22(30)16-9-26-29(11-16)12-18-6-4-15-3-5-17(23)8-20(15)28-18/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,25,30)
InChIKeyNAGACJGTMZTIRV-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.66
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 58081168) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID58081168
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-25-22(30)16-9-26-29(11-16)12-18-6-4-15-3-5-17(23)8-20(15)28-18/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,25,30)
InChIKeyNAGACJGTMZTIRV-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-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

(4-(7-chloroquinolin-4-yl)piperazino)(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanone
CID 2823699
8-[4-[2-[4-(4-Chlorophenyl)piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567110
5-Amino-1-tert-butyl-3-(7-chloroquinolin-3-yl)pyrazole-4-carboxamide
CID 86342109
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375516
1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375563
5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375595
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-propan-2-ylquinolin-3-yl)urea
CID 142425488
1-(7-Chloro-4-cyclopropylquinolin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 142425496
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-methylquinolin-3-yl)urea
CID 142425498
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((7-methylquinolin-3-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 58081222
N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081243
tert-Butyl 5-((1-((3-chloroquinolin-6-yl)methyl)-1H-pyrazole-4-carboxamido)methyl)-4,6-dimethylpyridin-2-ylcarbamate
CID 58081248

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide (CID 58081168) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is NAGACJGTMZTIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-25-22(30)16-9-26-29(11-16)12-18-6-4-15-3-5-17(23)8-20(15)28-18/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,25,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-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-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-chloroquinolin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).