6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide

C16H23N5O3 — CID 175892409

IUPAC6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
SMILESCC(C)CC(=O)C(=O)N1CCC(Nc2cc(C(N)=O)ncn2)CC1
InChIInChI=1S/C16H23N5O3/c1-10(2)7-13(22)16(24)21-5-3-11(4-6-21)20-14-8-12(15(17)23)18-9-19-14/h8-11H,3-7H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyVYVXIEUOAPPEOS-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.59
Rot. Bonds6

About 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide

6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide (PubChem CID 175892409) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
PubChem CID175892409
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
SMILESCC(C)CC(=O)C(=O)N1CCC(Nc2cc(C(N)=O)ncn2)CC1
InChIInChI=1S/C16H23N5O3/c1-10(2)7-13(22)16(24)21-5-3-11(4-6-21)20-14-8-12(15(17)23)18-9-19-14/h8-11H,3-7H2,1-2H3,(H2,17,23)(H,18,19,20)
InChIKeyVYVXIEUOAPPEOS-UHFFFAOYSA-N
XLogP0.59
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175138870
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
6-[(1-cyclohexylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 167761700
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-ol
CID 142428492
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
6-[[7-(2-hydroxyiminopropanoyl)-7-azaspiro[3.5]nonan-2-yl]amino]pyrimidine-4-carboxamide
CID 175850420
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-chloro-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 162458328
6-[(1-acetylpiperidin-4-yl)amino]-N-(3-chloro-2-hydroxypropyl)pyrimidine-4-carboxamide
CID 166672161
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide (CID 175892409) is 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide is CC(C)CC(=O)C(=O)N1CCC(Nc2cc(C(N)=O)ncn2)CC1.
What is the InChIKey of 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide?
The InChIKey is VYVXIEUOAPPEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(2)7-13(22)16(24)21-5-3-11(4-6-21)20-14-8-12(15(17)23)18-9-19-14/h8-11H,3-7H2,1-2H3,(H2,17,23)(H,18,19,20).
What are the key properties of 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide?
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 175892409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).