(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide

C24H29ClN6O3 — CID 71003325

IUPAC(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C1CCN(C(C)=O)CC1)C(=O)N2c1cccc(Cl)c1
InChIInChI=1S/C24H29ClN6O3/c1-15(26-3)23(33)28-22-8-7-21-20(27-22)14-30(18-9-11-29(12-10-18)16(2)32)24(34)31(21)19-6-4-5-17(25)13-19/h4-8,13,15,18,26H,9-12,14H2,1-3H3,(H,27,28,33)/t15-/m0/s1
InChIKeyJZAPJOLDXTWWMM-HNNXBMFYSA-N
MW484.99 g/mol
LogP3.37
Rot. Bonds5

About (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide

(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (PubChem CID 71003325) has the molecular formula C24H29ClN6O3 and a molecular weight of 484.99 g/mol. Its IUPAC name is (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
PubChem CID71003325
Molecular FormulaC24H29ClN6O3
Molecular Weight484.99 g/mol
Exact Mass484.20
IUPAC Name(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C1CCN(C(C)=O)CC1)C(=O)N2c1cccc(Cl)c1
InChIInChI=1S/C24H29ClN6O3/c1-15(26-3)23(33)28-22-8-7-21-20(27-22)14-30(18-9-11-29(12-10-18)16(2)32)24(34)31(21)19-6-4-5-17(25)13-19/h4-8,13,15,18,26H,9-12,14H2,1-3H3,(H,27,28,33)/t15-/m0/s1
InChIKeyJZAPJOLDXTWWMM-HNNXBMFYSA-N
XLogP3.37
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (CID 71003325) is (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C1CCN(C(C)=O)CC1)C(=O)N2c1cccc(Cl)c1.
What is the InChIKey of (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The InChIKey is JZAPJOLDXTWWMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-15(26-3)23(33)28-22-8-7-21-20(27-22)14-30(18-9-11-29(12-10-18)16(2)32)24(34)31(21)19-6-4-5-17(25)13-19/h4-8,13,15,18,26H,9-12,14H2,1-3H3,(H,27,28,33)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
(2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide has a molecular weight of 484.99 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-acetylpiperidin-4-yl)-1-(3-chlorophenyl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 71003325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).