1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide

C19H21N7O3 — CID 47048571

IUPAC1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCN(c4ncccn4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H21N7O3/c1-24-15-13(17(28)25(2)19(24)29)6-7-14(23-15)16(27)22-12-5-3-10-26(11-12)18-20-8-4-9-21-18/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,22,27)
InChIKeyICUMAHKROFCOGK-UHFFFAOYSA-N
MW395.42 g/mol
LogP-0.18
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 47048571) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID47048571
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3CCCN(c4ncccn4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H21N7O3/c1-24-15-13(17(28)25(2)19(24)29)6-7-14(23-15)16(27)22-12-5-3-10-26(11-12)18-20-8-4-9-21-18/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,22,27)
InChIKeyICUMAHKROFCOGK-UHFFFAOYSA-N
XLogP-0.18
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
1-oxo-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-isoquinoline-3-carboxamide
CID 95580335
1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 31819263
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 56547323
7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119595635
2-methyl-6-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidine-4-carboxamide
CID 45184903
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 38902551

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 47048571) is 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)NC3CCCN(c4ncccn4)C3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is ICUMAHKROFCOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-24-15-13(17(28)25(2)19(24)29)6-7-14(23-15)16(27)22-12-5-3-10-26(11-12)18-20-8-4-9-21-18/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,22,27).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 395.42 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 47048571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).