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

C20H24ClN5O2 — CID 71003290

IUPAC(2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O2/c1-12(2)25-11-16-17(9-10-18(23-16)24-19(27)13(3)22-4)26(20(25)28)15-7-5-14(21)6-8-15/h5-10,12-13,22H,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
InChIKeyLWMUZICIPCPIGH-ZDUSSCGKSA-N
MW401.90 g/mol
LogP3.76
Rot. Bonds5

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

(2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (PubChem CID 71003290) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
PubChem CID71003290
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name(2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O2/c1-12(2)25-11-16-17(9-10-18(23-16)24-19(27)13(3)22-4)26(20(25)28)15-7-5-14(21)6-8-15/h5-10,12-13,22H,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1
InChIKeyLWMUZICIPCPIGH-ZDUSSCGKSA-N
XLogP3.76
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.76
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)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (CID 71003290) is (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The InChIKey is LWMUZICIPCPIGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-12(2)25-11-16-17(9-10-18(23-16)24-19(27)13(3)22-4)26(20(25)28)15-7-5-14(21)6-8-15/h5-10,12-13,22H,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1.
What are the key properties of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
(2S)-N-[1-(4-chlorophenyl)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide has a molecular weight of 401.90 g/mol, XLogP of 3.76, 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)-2-oxo-3-propan-2-yl-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 71003290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).