4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide

C20H20N4O2 — CID 92570711

IUPAC4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C2CCOCC2)c2cnccc2n1
InChIInChI=1S/C20H20N4O2/c25-20(23-12-14-2-1-6-21-11-14)19-10-16(15-4-8-26-9-5-15)17-13-22-7-3-18(17)24-19/h1-3,6-7,10-11,13,15H,4-5,8-9,12H2,(H,23,25)
InChIKeyQQSAUUIMINUBND-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.85
Rot. Bonds4

About 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide

4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 92570711) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID92570711
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(C2CCOCC2)c2cnccc2n1
InChIInChI=1S/C20H20N4O2/c25-20(23-12-14-2-1-6-21-11-14)19-10-16(15-4-8-26-9-5-15)17-13-22-7-3-18(17)24-19/h1-3,6-7,10-11,13,15H,4-5,8-9,12H2,(H,23,25)
InChIKeyQQSAUUIMINUBND-UHFFFAOYSA-N
XLogP2.85
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
CID 92570006
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
CID 92583237
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
CID 92583236
N-[2-(4-methylphenoxy)propyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
CID 110225293
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804
N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92570801
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide (CID 92570711) is 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide is O=C(NCc1cccnc1)c1cc(C2CCOCC2)c2cnccc2n1.
What is the InChIKey of 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is QQSAUUIMINUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(23-12-14-2-1-6-21-11-14)19-10-16(15-4-8-26-9-5-15)17-13-22-7-3-18(17)24-19/h1-3,6-7,10-11,13,15H,4-5,8-9,12H2,(H,23,25).
What are the key properties of 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide?
4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 92570711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).