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

C22H26ClN5O2 — CID 70980020

IUPAC(2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C1CCCC1)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN5O2/c1-14(24-2)21(29)26-20-12-11-19-18(25-20)13-27(16-5-3-4-6-16)22(30)28(19)17-9-7-15(23)8-10-17/h7-12,14,16,24H,3-6,13H2,1-2H3,(H,25,26,29)/t14-/m0/s1
InChIKeyYDGFAYJPDUNMEV-AWEZNQCLSA-N
MW427.94 g/mol
LogP4.30
Rot. Bonds5

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

(2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (PubChem CID 70980020) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
PubChem CID70980020
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name(2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C1CCCC1)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN5O2/c1-14(24-2)21(29)26-20-12-11-19-18(25-20)13-27(16-5-3-4-6-16)22(30)28(19)17-9-7-15(23)8-10-17/h7-12,14,16,24H,3-6,13H2,1-2H3,(H,25,26,29)/t14-/m0/s1
InChIKeyYDGFAYJPDUNMEV-AWEZNQCLSA-N
XLogP4.30
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (CID 70980020) is (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C1CCCC1)C(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The InChIKey is YDGFAYJPDUNMEV-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-14(24-2)21(29)26-20-12-11-19-18(25-20)13-27(16-5-3-4-6-16)22(30)28(19)17-9-7-15(23)8-10-17/h7-12,14,16,24H,3-6,13H2,1-2H3,(H,25,26,29)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
(2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide has a molecular weight of 427.94 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-chlorophenyl)-3-cyclopentyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 70980020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).