N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide

C16H23N5O2 — CID 138031647

IUPACN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide
SMILESCN1CCN(c2ccnc(NC(=O)C3CCC(=O)NC3)c2)CC1
InChIInChI=1S/C16H23N5O2/c1-20-6-8-21(9-7-20)13-4-5-17-14(10-13)19-16(23)12-2-3-15(22)18-11-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,22)(H,17,19,23)
InChIKeyUZUYVSKSOZKDLF-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.30
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide

N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide (PubChem CID 138031647) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide
PubChem CID138031647
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide
SMILESCN1CCN(c2ccnc(NC(=O)C3CCC(=O)NC3)c2)CC1
InChIInChI=1S/C16H23N5O2/c1-20-6-8-21(9-7-20)13-4-5-17-14(10-13)19-16(23)12-2-3-15(22)18-11-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,22)(H,17,19,23)
InChIKeyUZUYVSKSOZKDLF-UHFFFAOYSA-N
XLogP0.30
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 154869705
5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide
CID 138030706
(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide
CID 95274619
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
CID 122355146
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
6-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-3-carboxamide
CID 122298657
(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide
CID 171359807
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
5-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-2-one
CID 122333843
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
CID 122326109
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-oxopiperidine-3-carboxamide
CID 122356657
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide (CID 138031647) is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide is CN1CCN(c2ccnc(NC(=O)C3CCC(=O)NC3)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UZUYVSKSOZKDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-20-6-8-21(9-7-20)13-4-5-17-14(10-13)19-16(23)12-2-3-15(22)18-11-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,22)(H,17,19,23).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide?
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 138031647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).