N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide

C25H24N8O2 — CID 142388084

IUPACN-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2cnc(C(=O)NCCCCN)c(C#N)c2)cnn1-c1cncc2ccccc12
InChIInChI=1S/C25H24N8O2/c1-16-21(14-31-33(16)22-15-28-12-17-6-2-3-7-20(17)22)24(34)32-19-10-18(11-27)23(30-13-19)25(35)29-9-5-4-8-26/h2-3,6-7,10,12-15H,4-5,8-9,26H2,1H3,(H,29,35)(H,32,34)
InChIKeySPXVZVUZWYMMCU-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.72
Rot. Bonds8

About N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide

N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 142388084) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide
PubChem CID142388084
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2cnc(C(=O)NCCCCN)c(C#N)c2)cnn1-c1cncc2ccccc12
InChIInChI=1S/C25H24N8O2/c1-16-21(14-31-33(16)22-15-28-12-17-6-2-3-7-20(17)22)24(34)32-19-10-18(11-27)23(30-13-19)25(35)29-9-5-4-8-26/h2-3,6-7,10,12-15H,4-5,8-9,26H2,1H3,(H,29,35)(H,32,34)
InChIKeySPXVZVUZWYMMCU-UHFFFAOYSA-N
XLogP2.72
TPSA151.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[6-(4-aminobutoxy)-5-isocyano-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 140879745
N-[5-cyano-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609919
methyl 3-chloro-5-[[1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
CID 134610247
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610069
N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610112
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-[3-chloro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610070
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide (CID 142388084) is N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide is Cc1c(C(=O)Nc2cnc(C(=O)NCCCCN)c(C#N)c2)cnn1-c1cncc2ccccc12.
What is the InChIKey of N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is SPXVZVUZWYMMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-16-21(14-31-33(16)22-15-28-12-17-6-2-3-7-20(17)22)24(34)32-19-10-18(11-27)23(30-13-19)25(35)29-9-5-4-8-26/h2-3,6-7,10,12-15H,4-5,8-9,26H2,1H3,(H,29,35)(H,32,34).
What are the key properties of N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide?
N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-cyano-5-[(1-isoquinolin-4-yl-5-methylpyrazole-4-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 142388084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).