4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile

C16H19N5O2 — CID 156556200

IUPAC4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
SMILESCCOC1CCCN(c2nc(=O)n(C)c3ccc(C#N)nc23)C1
InChIInChI=1S/C16H19N5O2/c1-3-23-12-5-4-8-21(10-12)15-14-13(20(2)16(22)19-15)7-6-11(9-17)18-14/h6-7,12H,3-5,8,10H2,1-2H3
InChIKeyKNNSYZVNVNSMOP-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds3

About 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile

4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile (PubChem CID 156556200) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
PubChem CID156556200
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
SMILESCCOC1CCCN(c2nc(=O)n(C)c3ccc(C#N)nc23)C1
InChIInChI=1S/C16H19N5O2/c1-3-23-12-5-4-8-21(10-12)15-14-13(20(2)16(22)19-15)7-6-11(9-17)18-14/h6-7,12H,3-5,8,10H2,1-2H3
InChIKeyKNNSYZVNVNSMOP-UHFFFAOYSA-N
XLogP1.21
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156527421
4-[3-ethyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156645276
3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
CID 80510417
5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156556127
6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
CID 156527371
4-[2,5-diethyl-4-[1-(4-methoxyphenyl)propyl]piperazin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 160888972
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-[4-(6-cyano-1-methyl-2-oxopyrido[3,2-d]pyrimidin-4-yl)-3-methylpiperazin-1-yl]-2-(4-methoxyphenyl)acetic acid
CID 156555969
4-[4-[1-(4-cyclopropyl-2-fluorophenyl)propyl]-2-methylpiperazin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156645315
6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380136
4-[(2S,5R)-4-[(5-methoxy-2-pyridinyl)amino]-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 171904336
4-[(5R)-4-[1-(4-cyclopropylphenyl)propyl]-5-ethyl-2-methylpiperazin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156645329

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile (CID 156556200) is 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile is CCOC1CCCN(c2nc(=O)n(C)c3ccc(C#N)nc23)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The InChIKey is KNNSYZVNVNSMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-23-12-5-4-8-21(10-12)15-14-13(20(2)16(22)19-15)7-6-11(9-17)18-14/h6-7,12H,3-5,8,10H2,1-2H3.
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 156556200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).