4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide

C17H17ClN4O2 — CID 86991925

IUPAC4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C17H17ClN4O2/c18-13-3-8-20-15(11-13)16(23)21-14-4-9-22(10-5-14)17(24)12-1-6-19-7-2-12/h1-3,6-8,11,14H,4-5,9-10H2,(H,21,23)
InChIKeyGWPKUZFERXZOOI-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.16
Rot. Bonds3

About 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide

4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 86991925) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID86991925
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C17H17ClN4O2/c18-13-3-8-20-15(11-13)16(23)21-14-4-9-22(10-5-14)17(24)12-1-6-19-7-2-12/h1-3,6-8,11,14H,4-5,9-10H2,(H,21,23)
InChIKeyGWPKUZFERXZOOI-UHFFFAOYSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 47057312
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide (CID 86991925) is 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is GWPKUZFERXZOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-3-8-20-15(11-13)16(23)21-14-4-9-22(10-5-14)17(24)12-1-6-19-7-2-12/h1-3,6-8,11,14H,4-5,9-10H2,(H,21,23).
What are the key properties of 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide?
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86991925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).