5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide

C15H17ClN6O — CID 133294840

IUPAC5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCC(Nc3cccnn3)CC2)c(Cl)c1
InChIInChI=1S/C15H17ClN6O/c16-12-8-10(14(17)23)9-18-15(12)22-6-3-11(4-7-22)20-13-2-1-5-19-21-13/h1-2,5,8-9,11H,3-4,6-7H2,(H2,17,23)(H,20,21)
InChIKeyOELLIQGOOFISKT-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.70
Rot. Bonds4

About 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133294840) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133294840
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(N2CCC(Nc3cccnn3)CC2)c(Cl)c1
InChIInChI=1S/C15H17ClN6O/c16-12-8-10(14(17)23)9-18-15(12)22-6-3-11(4-7-22)20-13-2-1-5-19-21-13/h1-2,5,8-9,11H,3-4,6-7H2,(H2,17,23)(H,20,21)
InChIKeyOELLIQGOOFISKT-UHFFFAOYSA-N
XLogP1.70
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
(2-chloro-4-methylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 136536011
(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 71878647
N-cyclopentylpyridazin-3-amine
CID 62482227
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
CID 154794198
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 56816116
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 24750878

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide (CID 133294840) is 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnc(N2CCC(Nc3cccnn3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OELLIQGOOFISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c16-12-8-10(14(17)23)9-18-15(12)22-6-3-11(4-7-22)20-13-2-1-5-19-21-13/h1-2,5,8-9,11H,3-4,6-7H2,(H2,17,23)(H,20,21).
What are the key properties of 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 332.80 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(pyridazin-3-ylamino)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133294840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).