N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide

C19H17N5O — CID 44754246

IUPACN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc2nc(NCCNC(=O)c3ccncc3)c(C#N)cc2c1
InChIInChI=1S/C19H17N5O/c1-13-2-3-17-15(10-13)11-16(12-20)18(24-17)22-8-9-23-19(25)14-4-6-21-7-5-14/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBPGWXIXMRNGLO-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.65
Rot. Bonds5

About N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 44754246) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
PubChem CID44754246
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc2nc(NCCNC(=O)c3ccncc3)c(C#N)cc2c1
InChIInChI=1S/C19H17N5O/c1-13-2-3-17-15(10-13)11-16(12-20)18(24-17)22-8-9-23-19(25)14-4-6-21-7-5-14/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBPGWXIXMRNGLO-UHFFFAOYSA-N
XLogP2.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]acetamide
CID 3221668
N-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 3288463
N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 7402621
1-[2-[(3-cyano-6-ethylquinolin-2-yl)amino]ethyl]-3-(2,4-dimethylphenyl)thiourea
CID 43815170
N-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]-4-ethoxybenzamide
CID 43815529
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
CID 647352
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
2-bromo-N-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]benzamide
CID 44754479
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 3221729
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide (CID 44754246) is N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide is Cc1ccc2nc(NCCNC(=O)c3ccncc3)c(C#N)cc2c1.
What is the InChIKey of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is FBPGWXIXMRNGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-2-3-17-15(10-13)11-16(12-20)18(24-17)22-8-9-23-19(25)14-4-6-21-7-5-14/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 44754246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).