N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C16H22N4O4 — CID 97014371

IUPACN-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)C[C@H](O)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H22N4O4/c1-9(2)5-11(21)8-18-14(22)10-6-12-13(17-7-10)19(3)16(24)20(4)15(12)23/h6-7,9,11,21H,5,8H2,1-4H3,(H,18,22)/t11-/m0/s1
InChIKeyMFIPIRVQJZEKHB-NSHDSACASA-N
MW334.38 g/mol
LogP-0.23
Rot. Bonds5

About N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 97014371) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID97014371
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)C[C@H](O)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H22N4O4/c1-9(2)5-11(21)8-18-14(22)10-6-12-13(17-7-10)19(3)16(24)20(4)15(12)23/h6-7,9,11,21H,5,8H2,1-4H3,(H,18,22)/t11-/m0/s1
InChIKeyMFIPIRVQJZEKHB-NSHDSACASA-N
XLogP-0.23
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552128
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
1,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78867565
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 25495476
N-[2-(cycloheptylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119619498
1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044016

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 97014371) is N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CC(C)C[C@H](O)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MFIPIRVQJZEKHB-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9(2)5-11(21)8-18-14(22)10-6-12-13(17-7-10)19(3)16(24)20(4)15(12)23/h6-7,9,11,21H,5,8H2,1-4H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 334.38 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 97014371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).