1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C16H15N5O3S — CID 37155718

IUPAC1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1csc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)n1
InChIInChI=1S/C16H15N5O3S/c1-8-7-25-12(19-8)6-18-14(22)9-4-11-13(17-5-9)21(10-2-3-10)16(24)20-15(11)23/h4-5,7,10H,2-3,6H2,1H3,(H,18,22)(H,20,23,24)
InChIKeyLOVMZODNYLFNAU-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.11
Rot. Bonds4

About 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 37155718) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID37155718
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1csc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)n1
InChIInChI=1S/C16H15N5O3S/c1-8-7-25-12(19-8)6-18-14(22)9-4-11-13(17-5-9)21(10-2-3-10)16(24)20-15(11)23/h4-5,7,10H,2-3,6H2,1H3,(H,18,22)(H,20,23,24)
InChIKeyLOVMZODNYLFNAU-UHFFFAOYSA-N
XLogP1.11
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 37155718) is 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1csc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LOVMZODNYLFNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-8-7-25-12(19-8)6-18-14(22)9-4-11-13(17-5-9)21(10-2-3-10)16(24)20-15(11)23/h4-5,7,10H,2-3,6H2,1H3,(H,18,22)(H,20,23,24).
What are the key properties of 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 37155718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).