N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C13H12N6O3 — CID 154850799

IUPACN-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(Cc1cnc[nH]1)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H12N6O3/c1-19(5-8-4-14-6-16-8)12(21)7-2-9-10(15-3-7)17-13(22)18-11(9)20/h2-4,6H,5H2,1H3,(H,14,16)(H2,15,17,18,20,22)
InChIKeyHAABBDWKPJDEFL-UHFFFAOYSA-N
MW300.28 g/mol
LogP-0.39
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 154850799) has the molecular formula C13H12N6O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID154850799
Molecular FormulaC13H12N6O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCN(Cc1cnc[nH]1)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H12N6O3/c1-19(5-8-4-14-6-16-8)12(21)7-2-9-10(15-3-7)17-13(22)18-11(9)20/h2-4,6H,5H2,1H3,(H,14,16)(H2,15,17,18,20,22)
InChIKeyHAABBDWKPJDEFL-UHFFFAOYSA-N
XLogP-0.39
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 47215053
2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid
CID 120580731
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749
6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 10542352
6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240
3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid
CID 66966960
N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55838313
1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one
CID 167242338
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065091
(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methanol
CID 142942515
ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
CID 176952178
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 154850799) is N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is CN(Cc1cnc[nH]1)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HAABBDWKPJDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3/c1-19(5-8-4-14-6-16-8)12(21)7-2-9-10(15-3-7)17-13(22)18-11(9)20/h2-4,6H,5H2,1H3,(H,14,16)(H2,15,17,18,20,22).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 300.28 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 154850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).