6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide

C17H18N4O2 — CID 95818545

IUPAC6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C17H18N4O2/c18-16(22)15-7-1-6-14(20-15)13-5-3-9-21(11-13)17(23)12-4-2-8-19-10-12/h1-2,4,6-8,10,13H,3,5,9,11H2,(H2,18,22)/t13-/m0/s1
InChIKeyKYONHNTUMMKKDL-ZDUSSCGKSA-N
MW310.36 g/mol
LogP1.60
Rot. Bonds3

About 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide

6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 95818545) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
PubChem CID95818545
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C17H18N4O2/c18-16(22)15-7-1-6-14(20-15)13-5-3-9-21(11-13)17(23)12-4-2-8-19-10-12/h1-2,4,6-8,10,13H,3,5,9,11H2,(H2,18,22)/t13-/m0/s1
InChIKeyKYONHNTUMMKKDL-ZDUSSCGKSA-N
XLogP1.60
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95818946
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95821107

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide (CID 95818545) is 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide is NC(=O)c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1.
What is the InChIKey of 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is KYONHNTUMMKKDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-16(22)15-7-1-6-14(20-15)13-5-3-9-21(11-13)17(23)12-4-2-8-19-10-12/h1-2,4,6-8,10,13H,3,5,9,11H2,(H2,18,22)/t13-/m0/s1.
What are the key properties of 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide?
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95818545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).