N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide

C16H18N4O2 — CID 119067967

IUPACN-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C16H18N4O2/c21-16(20-8-12-4-3-7-22-11-12)13-9-18-15(19-10-13)14-5-1-2-6-17-14/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,20,21)
InChIKeyWHCJNACESXFXHM-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.70
Rot. Bonds4

About N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide

N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 119067967) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID119067967
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C16H18N4O2/c21-16(20-8-12-4-3-7-22-11-12)13-9-18-15(19-10-13)14-5-1-2-6-17-14/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,20,21)
InChIKeyWHCJNACESXFXHM-UHFFFAOYSA-N
XLogP1.70
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126444759
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
1-(2-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-4-carboxamide
CID 146087948
N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504304
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 119067967) is N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide is O=C(NCC1CCCOC1)c1cnc(-c2ccccn2)nc1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is WHCJNACESXFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(20-8-12-4-3-7-22-11-12)13-9-18-15(19-10-13)14-5-1-2-6-17-14/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,20,21).
What are the key properties of N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 119067967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).