2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide

C23H25N7O3 — CID 55964513

IUPAC2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(-n4cncn4)cc3)cc(C(C)C)nc21
InChIInChI=1S/C23H25N7O3/c1-4-9-29-20-19(22(32)28-23(29)33)17(10-18(27-20)14(2)3)21(31)25-11-15-5-7-16(8-6-15)30-13-24-12-26-30/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,25,31)(H,28,32,33)
InChIKeyMZALKXSCCXZELA-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.13
Rot. Bonds7

About 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide

2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55964513) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55964513
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(-n4cncn4)cc3)cc(C(C)C)nc21
InChIInChI=1S/C23H25N7O3/c1-4-9-29-20-19(22(32)28-23(29)33)17(10-18(27-20)14(2)3)21(31)25-11-15-5-7-16(8-6-15)30-13-24-12-26-30/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,25,31)(H,28,32,33)
InChIKeyMZALKXSCCXZELA-UHFFFAOYSA-N
XLogP2.13
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(furan-3-ylmethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55962585
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55620756
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55961453
N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119384530
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
N-[2-(4-methylphenyl)sulfanylethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55569397
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39625352
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 56537653
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55639059
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119607991

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide (CID 55964513) is 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(-n4cncn4)cc3)cc(C(C)C)nc21.
What is the InChIKey of 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MZALKXSCCXZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-4-9-29-20-19(22(32)28-23(29)33)17(10-18(27-20)14(2)3)21(31)25-11-15-5-7-16(8-6-15)30-13-24-12-26-30/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,25,31)(H,28,32,33).
What are the key properties of 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55964513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).