2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide

C15H24N4O2 — CID 173104652

IUPAC2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide
SMILESCCCC(=O)N(C1CCNCC1)C1C=CC=C(C(N)=O)N1
InChIInChI=1S/C15H24N4O2/c1-2-4-14(20)19(11-7-9-17-10-8-11)13-6-3-5-12(18-13)15(16)21/h3,5-6,11,13,17-18H,2,4,7-10H2,1H3,(H2,16,21)
InChIKeyDGIPTTZFLIWVSS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.22
Rot. Bonds5

About 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide

2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide (PubChem CID 173104652) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide
PubChem CID173104652
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide
SMILESCCCC(=O)N(C1CCNCC1)C1C=CC=C(C(N)=O)N1
InChIInChI=1S/C15H24N4O2/c1-2-4-14(20)19(11-7-9-17-10-8-11)13-6-3-5-12(18-13)15(16)21/h3,5-6,11,13,17-18H,2,4,7-10H2,1H3,(H2,16,21)
InChIKeyDGIPTTZFLIWVSS-UHFFFAOYSA-N
XLogP0.22
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide (CID 173104652) is 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide is CCCC(=O)N(C1CCNCC1)C1C=CC=C(C(N)=O)N1.
What is the InChIKey of 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is DGIPTTZFLIWVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-4-14(20)19(11-7-9-17-10-8-11)13-6-3-5-12(18-13)15(16)21/h3,5-6,11,13,17-18H,2,4,7-10H2,1H3,(H2,16,21).
What are the key properties of 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide?
2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(piperidin-4-yl)amino]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 173104652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).