4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile

C16H18N6O — CID 138380855

IUPAC4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)nc1N
InChIInChI=1S/C16H18N6O/c17-8-13-10-20-16(21-15(13)18)22-5-3-11(4-6-22)7-12-1-2-14(23)19-9-12/h1-2,9-11H,3-7H2,(H,19,23)(H2,18,20,21)
InChIKeyOXBINFWJXSBMMA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.08
Rot. Bonds3

About 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile

4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 138380855) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID138380855
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)nc1N
InChIInChI=1S/C16H18N6O/c17-8-13-10-20-16(21-15(13)18)22-5-3-11(4-6-22)7-12-1-2-14(23)19-9-12/h1-2,9-11H,3-7H2,(H,19,23)(H2,18,20,21)
InChIKeyOXBINFWJXSBMMA-UHFFFAOYSA-N
XLogP1.08
TPSA111.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[4-[(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 56706176
5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 137343874
5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138379695
5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138384300
4-amino-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 168671812
5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138382589
4-amino-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 131900302
4-amino-2-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)pyrimidine-5-carbonitrile
CID 131909287
N-[[1-(4-amino-5-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;formic acid
CID 154913091
4-amino-2-[(3R)-3-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 95222230
4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 95219965
1-(azepan-1-yl)-4-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 138379375

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile (CID 138380855) is 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile is N#Cc1cnc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)nc1N.
What is the InChIKey of 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is OXBINFWJXSBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c17-8-13-10-20-16(21-15(13)18)22-5-3-11(4-6-22)7-12-1-2-14(23)19-9-12/h1-2,9-11H,3-7H2,(H,19,23)(H2,18,20,21).
What are the key properties of 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 138380855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).