N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C26H22N6O3 — CID 55580941

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C26H22N6O3/c1-2-32-23-21(25(34)31-26(32)35)17(13-20(30-23)14-7-8-14)24(33)27-16-11-9-15(10-12-16)22-28-18-5-3-4-6-19(18)29-22/h3-6,9-14H,2,7-8H2,1H3,(H,27,33)(H,28,29)(H,31,34,35)
InChIKeyQHEZVCBWQQJMKA-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.78
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55580941) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55580941
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C26H22N6O3/c1-2-32-23-21(25(34)31-26(32)35)17(13-20(30-23)14-7-8-14)24(33)27-16-11-9-15(10-12-16)22-28-18-5-3-4-6-19(18)29-22/h3-6,9-14H,2,7-8H2,1H3,(H,27,33)(H,28,29)(H,31,34,35)
InChIKeyQHEZVCBWQQJMKA-UHFFFAOYSA-N
XLogP3.78
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55977632
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37133161
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55582558
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55786643
7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 60553684
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24678868
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 60555570
7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 166190899

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 55580941) is N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is QHEZVCBWQQJMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-2-32-23-21(25(34)31-26(32)35)17(13-20(30-23)14-7-8-14)24(33)27-16-11-9-15(10-12-16)22-28-18-5-3-4-6-19(18)29-22/h3-6,9-14H,2,7-8H2,1H3,(H,27,33)(H,28,29)(H,31,34,35).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55580941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).