6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide

C15H18N4O2 — CID 167914646

IUPAC6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide
SMILESC#CC1CCCCN1C(=O)Nc1ccc(C(=O)NC)cn1
InChIInChI=1S/C15H18N4O2/c1-3-12-6-4-5-9-19(12)15(21)18-13-8-7-11(10-17-13)14(20)16-2/h1,7-8,10,12H,4-6,9H2,2H3,(H,16,20)(H,17,18,21)
InChIKeyXOPRIIGUPZMWQZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.46
Rot. Bonds2

About 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide

6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 167914646) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID167914646
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide
SMILESC#CC1CCCCN1C(=O)Nc1ccc(C(=O)NC)cn1
InChIInChI=1S/C15H18N4O2/c1-3-12-6-4-5-9-19(12)15(21)18-13-8-7-11(10-17-13)14(20)16-2/h1,7-8,10,12H,4-6,9H2,2H3,(H,16,20)(H,17,18,21)
InChIKeyXOPRIIGUPZMWQZ-UHFFFAOYSA-N
XLogP1.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide (CID 167914646) is 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide is C#CC1CCCCN1C(=O)Nc1ccc(C(=O)NC)cn1.
What is the InChIKey of 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is XOPRIIGUPZMWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-12-6-4-5-9-19(12)15(21)18-13-8-7-11(10-17-13)14(20)16-2/h1,7-8,10,12H,4-6,9H2,2H3,(H,16,20)(H,17,18,21).
What are the key properties of 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide?
6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethynylpiperidine-1-carbonyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167914646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).