N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide

C20H27N3O — CID 25181801

IUPACN-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
SMILESCCCCN(C)C(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1
InChIInChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3
InChIKeyDUDLUGRLTVPTNX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.62
Rot. Bonds3

About N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide

N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide (PubChem CID 25181801) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
PubChem CID25181801
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
SMILESCCCCN(C)C(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1
InChIInChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3
InChIKeyDUDLUGRLTVPTNX-UHFFFAOYSA-N
XLogP3.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-(6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone O-methyl oxime
CID 11481862
Tert-butyl 4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 25183669
Ethyl 4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 25183819
1-[4-[3-(6-Methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]butan-1-one
CID 25183820
2-Methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine
CID 25183826
(E)-3-[2-(6-methyl-2-pyridinyl)ethynyl]-N-(tritritiomethoxy)cyclohex-2-en-1-imine
CID 44422668
N-butyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
CID 57574921
N-tert-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
CID 57574945
N-ethyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-propan-2-ylpiperidine-1-carboxamide
CID 57574953
N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-N-(1-phenylethyl)piperidine-1-carboxamide
CID 57575007
2-Methoxy-1-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]ethanone
CID 57575029
N-tert-butyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
CID 57575036

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide (CID 25181801) is N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide is CCCCN(C)C(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1.
What is the InChIKey of N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide?
The InChIKey is DUDLUGRLTVPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-5-14-22(3)20(24)23-15-12-18(13-16-23)9-7-11-19-10-6-8-17(2)21-19/h6,8-10H,4-5,12-16H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide?
N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide is sourced from PubChem (CID 25181801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).