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

C17H18ClN5O2 — CID 70980045

IUPAC(2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O2/c1-10(19-2)16(24)22-15-8-7-14-13(21-15)9-20-17(25)23(14)12-5-3-11(18)4-6-12/h3-8,10,19H,9H2,1-2H3,(H,20,25)(H,21,22,24)/t10-/m0/s1
InChIKeyMETJSNYQFRXVOZ-JTQLQIEISA-N
MW359.82 g/mol
LogP2.64
Rot. Bonds4

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

(2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (PubChem CID 70980045) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
PubChem CID70980045
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name(2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O2/c1-10(19-2)16(24)22-15-8-7-14-13(21-15)9-20-17(25)23(14)12-5-3-11(18)4-6-12/h3-8,10,19H,9H2,1-2H3,(H,20,25)(H,21,22,24)/t10-/m0/s1
InChIKeyMETJSNYQFRXVOZ-JTQLQIEISA-N
XLogP2.64
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (CID 70980045) is (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The InChIKey is METJSNYQFRXVOZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10(19-2)16(24)22-15-8-7-14-13(21-15)9-20-17(25)23(14)12-5-3-11(18)4-6-12/h3-8,10,19H,9H2,1-2H3,(H,20,25)(H,21,22,24)/t10-/m0/s1.
What are the key properties of (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
(2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide has a molecular weight of 359.82 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-chlorophenyl)-2-oxo-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 70980045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).