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

C23H26N8O3 — CID 55961453

IUPAC1-(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
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccnc3-n3cncn3)cc(C(C)C)nc21
InChIInChI=1S/C23H26N8O3/c1-13(2)10-30-20-18(22(33)29-23(30)34)16(8-17(28-20)14(3)4)21(32)26-9-15-6-5-7-25-19(15)31-12-24-11-27-31/h5-8,11-14H,9-10H2,1-4H3,(H,26,32)(H,29,33,34)
InChIKeyRRSDQWHWXGHDFR-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.77
Rot. Bonds7

About 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

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 (PubChem CID 55961453) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID55961453
Molecular FormulaC23H26N8O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name1-(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
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccnc3-n3cncn3)cc(C(C)C)nc21
InChIInChI=1S/C23H26N8O3/c1-13(2)10-30-20-18(22(33)29-23(30)34)16(8-17(28-20)14(3)4)21(32)26-9-15-6-5-7-25-19(15)31-12-24-11-27-31/h5-8,11-14H,9-10H2,1-4H3,(H,26,32)(H,29,33,34)
InChIKeyRRSDQWHWXGHDFR-UHFFFAOYSA-N
XLogP1.77
TPSA140.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672
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
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
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-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 36599162
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
N-[(2R)-2-(ethylamino)propyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 120654752
N-[2-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55991448
N-[4-(furan-2-carbonylamino)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39856077
N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 52714764
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cccnc3-n3cncn3)cc(C(C)C)nc21.
What is the InChIKey of 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?
The InChIKey is RRSDQWHWXGHDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-13(2)10-30-20-18(22(33)29-23(30)34)16(8-17(28-20)14(3)4)21(32)26-9-15-6-5-7-25-19(15)31-12-24-11-27-31/h5-8,11-14H,9-10H2,1-4H3,(H,26,32)(H,29,33,34).
What are the key properties of 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?
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 has a molecular weight of 462.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 55961453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).