2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

C21H24N6O2 — CID 92607320

IUPAC2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)Cc4cccnc4)C3)cc2n1
InChIInChI=1S/C21H24N6O2/c1-26(2)21-23-12-16-18(25-21)10-17(24-20(16)29)15-6-4-8-27(13-15)19(28)9-14-5-3-7-22-11-14/h3,5,7,10-12,15H,4,6,8-9,13H2,1-2H3,(H,24,29)/t15-/m0/s1
InChIKeyDFINFTCBJMXVJE-HNNXBMFYSA-N
MW392.46 g/mol
LogP1.73
Rot. Bonds4

About 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92607320) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92607320
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)Cc4cccnc4)C3)cc2n1
InChIInChI=1S/C21H24N6O2/c1-26(2)21-23-12-16-18(25-21)10-17(24-20(16)29)15-6-4-8-27(13-15)19(28)9-14-5-3-7-22-11-14/h3,5,7,10-12,15H,4,6,8-9,13H2,1-2H3,(H,24,29)/t15-/m0/s1
InChIKeyDFINFTCBJMXVJE-HNNXBMFYSA-N
XLogP1.73
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

2-(dimethylamino)-7-[(3S)-1-(3-methoxypropanoyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607310
2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607315
2-(dimethylamino)-7-[(3R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92594985
2-(dimethylamino)-7-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 110218815
1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 92607041
6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92572228
2-(dimethylamino)-7-[1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92596165
2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92565937
1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92597472
7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92607320) is 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is CN(C)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)Cc4cccnc4)C3)cc2n1.
What is the InChIKey of 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DFINFTCBJMXVJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26(2)21-23-12-16-18(25-21)10-17(24-20(16)29)15-6-4-8-27(13-15)19(28)9-14-5-3-7-22-11-14/h3,5,7,10-12,15H,4,6,8-9,13H2,1-2H3,(H,24,29)/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 392.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[(3S)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92607320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).