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

C14H22N4O2 — CID 173104415

IUPAC2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide
SMILESCCC(=O)N(C1CCNCC1)C1C=CC=C(C(N)=O)N1
InChIInChI=1S/C14H22N4O2/c1-2-13(19)18(10-6-8-16-9-7-10)12-5-3-4-11(17-12)14(15)20/h3-5,10,12,16-17H,2,6-9H2,1H3,(H2,15,20)
InChIKeyBLYCGAMMZKJKMG-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.17
Rot. Bonds4

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

2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide (PubChem CID 173104415) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide
PubChem CID173104415
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide
SMILESCCC(=O)N(C1CCNCC1)C1C=CC=C(C(N)=O)N1
InChIInChI=1S/C14H22N4O2/c1-2-13(19)18(10-6-8-16-9-7-10)12-5-3-4-11(17-12)14(15)20/h3-5,10,12,16-17H,2,6-9H2,1H3,(H2,15,20)
InChIKeyBLYCGAMMZKJKMG-UHFFFAOYSA-N
XLogP-0.17
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide (CID 173104415) is 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide is CCC(=O)N(C1CCNCC1)C1C=CC=C(C(N)=O)N1.
What is the InChIKey of 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is BLYCGAMMZKJKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-13(19)18(10-6-8-16-9-7-10)12-5-3-4-11(17-12)14(15)20/h3-5,10,12,16-17H,2,6-9H2,1H3,(H2,15,20).
What are the key properties of 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide?
2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(propanoyl)amino]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 173104415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).