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

C18H14N6O3 — CID 136578744

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1
InChIInChI=1S/C18H14N6O3/c1-24-6-5-19-15(24)10-3-2-4-12(7-10)21-16(25)11-8-13-14(20-9-11)22-18(27)23-17(13)26/h2-9H,1H3,(H,21,25)(H2,20,22,23,26,27)
InChIKeyUKHIHRVUFJLLDV-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.26
Rot. Bonds3

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

N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 136578744) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID136578744
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1
InChIInChI=1S/C18H14N6O3/c1-24-6-5-19-15(24)10-3-2-4-12(7-10)21-16(25)11-8-13-14(20-9-11)22-18(27)23-17(13)26/h2-9H,1H3,(H,21,25)(H2,20,22,23,26,27)
InChIKeyUKHIHRVUFJLLDV-UHFFFAOYSA-N
XLogP1.26
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 136523152
N-[1-(3-benzamidophenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55837618
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55853567
N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55838313
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
4-(1,3-dithian-2-yl)-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 87008562
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
3-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167916723
2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 48500610
3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
CID 60557234
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55947481

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 136578744) is N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1ccnc1-c1cccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)c1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UKHIHRVUFJLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c1-24-6-5-19-15(24)10-3-2-4-12(7-10)21-16(25)11-8-13-14(20-9-11)22-18(27)23-17(13)26/h2-9H,1H3,(H,21,25)(H2,20,22,23,26,27).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 136578744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).