N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide

C20H23N3O2 — CID 109102375

IUPACN-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H23N3O2/c1-3-14(2)22-19(24)16-11-17(13-21-12-16)20(25)23-10-6-8-15-7-4-5-9-18(15)23/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,22,24)
InChIKeyDPNVOLQSFXQVJQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.20
Rot. Bonds4

About N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide

N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102375) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102375
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H23N3O2/c1-3-14(2)22-19(24)16-11-17(13-21-12-16)20(25)23-10-6-8-15-7-4-5-9-18(15)23/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,22,24)
InChIKeyDPNVOLQSFXQVJQ-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
CID 109102324
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230630
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086764
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
N-[(2R)-butan-2-yl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086775
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106503

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide (CID 109102375) is N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is DPNVOLQSFXQVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-14(2)22-19(24)16-11-17(13-21-12-16)20(25)23-10-6-8-15-7-4-5-9-18(15)23/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide?
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).