N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C26H25N5O3 — CID 37126644

IUPACN-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C26H25N5O3/c1-2-14-31-23-22(25(33)30-26(31)34)20(15-21(29-23)16-8-9-16)24(32)28-19-12-10-18(11-13-19)27-17-6-4-3-5-7-17/h3-7,10-13,15-16,27H,2,8-9,14H2,1H3,(H,28,32)(H,30,33,34)
InChIKeyGQIQAJLLOXXKGU-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.37
Rot. Bonds7

About N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 37126644) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID37126644
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C26H25N5O3/c1-2-14-31-23-22(25(33)30-26(31)34)20(15-21(29-23)16-8-9-16)24(32)28-19-12-10-18(11-13-19)27-17-6-4-3-5-7-17/h3-7,10-13,15-16,27H,2,8-9,14H2,1H3,(H,28,32)(H,30,33,34)
InChIKeyGQIQAJLLOXXKGU-UHFFFAOYSA-N
XLogP4.37
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
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-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55580941
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
7-cyclopropyl-1-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 166190899
7-cyclopropyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 86937513
N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119571079

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 37126644) is N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is GQIQAJLLOXXKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-2-14-31-23-22(25(33)30-26(31)34)20(15-21(29-23)16-8-9-16)24(32)28-19-12-10-18(11-13-19)27-17-6-4-3-5-7-17/h3-7,10-13,15-16,27H,2,8-9,14H2,1H3,(H,28,32)(H,30,33,34).
What are the key properties of N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 37126644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).