N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C15H16N6O3 — CID 119041239

IUPACN-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nccn1CCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H16N6O3/c1-9-16-4-6-21(9)5-2-3-17-13(22)10-7-11-12(18-8-10)19-15(24)20-14(11)23/h4,6-8H,2-3,5H2,1H3,(H,17,22)(H2,18,19,20,23,24)
InChIKeyIYFLPYDHGCULLU-UHFFFAOYSA-N
MW328.33 g/mol
LogP-0.06
Rot. Bonds5

About N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 119041239) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID119041239
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC NameN-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nccn1CCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H16N6O3/c1-9-16-4-6-21(9)5-2-3-17-13(22)10-7-11-12(18-8-10)19-15(24)20-14(11)23/h4,6-8H,2-3,5H2,1H3,(H,17,22)(H2,18,19,20,23,24)
InChIKeyIYFLPYDHGCULLU-UHFFFAOYSA-N
XLogP-0.06
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 119041239) is N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nccn1CCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IYFLPYDHGCULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-9-16-4-6-21(9)5-2-3-17-13(22)10-7-11-12(18-8-10)19-15(24)20-14(11)23/h4,6-8H,2-3,5H2,1H3,(H,17,22)(H2,18,19,20,23,24).
What are the key properties of N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 328.33 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 119041239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).