N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C16H22N4O3 — CID 46554711

IUPACN-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC(C)(C)CC)cnc21
InChIInChI=1S/C16H22N4O3/c1-5-7-20-12-11(14(22)18-15(20)23)8-10(9-17-12)13(21)19-16(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,19,21)(H,18,22,23)
InChIKeyBVZVETQDBCWUEO-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.41
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46554711) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46554711
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC(C)(C)CC)cnc21
InChIInChI=1S/C16H22N4O3/c1-5-7-20-12-11(14(22)18-15(20)23)8-10(9-17-12)13(21)19-16(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,19,21)(H,18,22,23)
InChIKeyBVZVETQDBCWUEO-UHFFFAOYSA-N
XLogP1.41
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
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CID 463147
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
N-tert-Butyl-5-[3-methyl-3-(pyridin-2-yl)azetidine-1-carbonyl]pyridin-2-amine
CID 146592636
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 46554711) is N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC(C)(C)CC)cnc21.
What is the InChIKey of N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BVZVETQDBCWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-5-7-20-12-11(14(22)18-15(20)23)8-10(9-17-12)13(21)19-16(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,19,21)(H,18,22,23).
What are the key properties of N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46554711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).