1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide

C16H21N5O4 — CID 46552128

About 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46552128) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 46552128
• Molecular Formula: C16H21N5O4
• Molecular Weight: 347.38 g/mol
• Exact Mass: 347.16
• IUPAC Name: 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCCNC(=O)C(C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
• InChI: InChI=1S/C16H21N5O4/c1-5-6-17-13(22)9(2)19-14(23)10-7-11-12(18-8-10)20(3)16(25)21(4)15(11)24/h7-9H,5-6H2,1-4H3,(H,17,22)(H,19,23)
• InChIKey: FSVCWCODPBTDRF-UHFFFAOYSA-N
• XLogP: -0.72
• TPSA: 115.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.38
LogP ≤ 5	-0.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 46552128) is 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCNC(=O)C(C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C.

What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is FSVCWCODPBTDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-5-6-17-13(22)9(2)19-14(23)10-7-11-12(18-8-10)20(3)16(25)21(4)15(11)24/h7-9H,5-6H2,1-4H3,(H,17,22)(H,19,23).

What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide?

1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 347.38 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46552128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).