N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide

C18H26N4O2 — CID 87021578

IUPACN-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide
SMILESC=CCNC(=O)C(C)N1CCCC(C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C18H26N4O2/c1-4-10-19-17(23)14(3)22-11-6-8-15(12-22)18(24)21-16-9-5-7-13(2)20-16/h4-5,7,9,14-15H,1,6,8,10-12H2,2-3H3,(H,19,23)(H,20,21,24)
InChIKeyNIHXWAMYEDIVFL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.73
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide

N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide (PubChem CID 87021578) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide
PubChem CID87021578
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide
SMILESC=CCNC(=O)C(C)N1CCCC(C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C18H26N4O2/c1-4-10-19-17(23)14(3)22-11-6-8-15(12-22)18(24)21-16-9-5-7-13(2)20-16/h4-5,7,9,14-15H,1,6,8,10-12H2,2-3H3,(H,19,23)(H,20,21,24)
InChIKeyNIHXWAMYEDIVFL-UHFFFAOYSA-N
XLogP1.73
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 124818575
(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95141951
(3R)-N-(6-methyl-2-pyridinyl)-1-(2-prop-2-enylsulfanylacetyl)piperidine-3-carboxamide
CID 94638795
N-(6-methyl-2-pyridinyl)-1-(2-prop-2-enylsulfanylacetyl)piperidine-3-carboxamide
CID 51092310
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120503103
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
(3R)-1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638806

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide (CID 87021578) is N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide is C=CCNC(=O)C(C)N1CCCC(C(=O)Nc2cccc(C)n2)C1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is NIHXWAMYEDIVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-10-19-17(23)14(3)22-11-6-8-15(12-22)18(24)21-16-9-5-7-13(2)20-16/h4-5,7,9,14-15H,1,6,8,10-12H2,2-3H3,(H,19,23)(H,20,21,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 87021578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).