N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

C20H16N4O2 — CID 71905944

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ocnc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H16N4O2/c1-13-19(23-12-26-13)11-22-20(25)16-9-18(14-5-4-8-21-10-14)24-17-7-3-2-6-15(16)17/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyKOCWPVQRQKCSDQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.52
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 71905944) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID71905944
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ocnc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H16N4O2/c1-13-19(23-12-26-13)11-22-20(25)16-9-18(14-5-4-8-21-10-14)24-17-7-3-2-6-15(16)17/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyKOCWPVQRQKCSDQ-UHFFFAOYSA-N
XLogP3.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 111483666
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 155910501
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55332232
N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
CID 69053992

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 71905944) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is Cc1ocnc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KOCWPVQRQKCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-19(23-12-26-13)11-22-20(25)16-9-18(14-5-4-8-21-10-14)24-17-7-3-2-6-15(16)17/h2-10,12H,11H2,1H3,(H,22,25).
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 71905944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).