N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide

C21H21N3O2 — CID 91763890

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C21H21N3O2/c1-13-11-22-7-6-18(13)21(26)24-20(15-9-17(25)10-15)16-8-14-4-2-3-5-19(14)23-12-16/h2-8,11-12,15,17,20,25H,9-10H2,1H3,(H,24,26)
InChIKeyZKPMNDKOPPJUGU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide (PubChem CID 91763890) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
PubChem CID91763890
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C21H21N3O2/c1-13-11-22-7-6-18(13)21(26)24-20(15-9-17(25)10-15)16-8-14-4-2-3-5-19(14)23-12-16/h2-8,11-12,15,17,20,25H,9-10H2,1H3,(H,24,26)
InChIKeyZKPMNDKOPPJUGU-UHFFFAOYSA-N
XLogP3.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-3-carboxamide
CID 10049290
2-Phenyl-quinoline-4-carboxylic acid (3-hydroxy-1-phenyl-propyl)-amide
CID 10714925
2-phenyl-N-(1-(pyridin-2-yl)propyl)quinoline-4-carboxamide
CID 16035466
Quinoline-3-carboxylic acid ((1S,2S,4R)-1-cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
CID 44308819
N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4072144
N-(8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl)isonicotinamide
CID 53304726
N-[[(2S,4R)-4-hydroxy-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70685889
(2S)-N-[(2S,3R)-3-hydroxy-4-[2-[[(2S,3S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
CID 118718409
N-[(2S,3S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]quinoline-3-carboxamide
CID 168298895
N-allyl-6,8-dimethyl-2-(4-pyridinyl)-4-quinolinecarboxamide
CID 2220684
N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554154

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide (CID 91763890) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
The InChIKey is ZKPMNDKOPPJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-11-22-7-6-18(13)21(26)24-20(15-9-17(25)10-15)16-8-14-4-2-3-5-19(14)23-12-16/h2-8,11-12,15,17,20,25H,9-10H2,1H3,(H,24,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 91763890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).