N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C19H19ClN4O3 — CID 51950219

IUPACN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H19ClN4O3/c1-11(9-12-5-4-6-13(20)10-12)21-17(25)15-8-7-14-16(22-15)23(2)19(27)24(3)18(14)26/h4-8,10-11H,9H2,1-3H3,(H,21,25)/t11-/m0/s1
InChIKeyUHWHJOXSZBYNNX-NSHDSACASA-N
MW386.84 g/mol
LogP1.65
Rot. Bonds4

About N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 51950219) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID51950219
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H19ClN4O3/c1-11(9-12-5-4-6-13(20)10-12)21-17(25)15-8-7-14-16(22-15)23(2)19(27)24(3)18(14)26/h4-8,10-11H,9H2,1-3H3,(H,21,25)/t11-/m0/s1
InChIKeyUHWHJOXSZBYNNX-NSHDSACASA-N
XLogP1.65
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 51950219) is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is UHWHJOXSZBYNNX-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-11(9-12-5-4-6-13(20)10-12)21-17(25)15-8-7-14-16(22-15)23(2)19(27)24(3)18(14)26/h4-8,10-11H,9H2,1-3H3,(H,21,25)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 51950219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).