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

C17H24ClN3O2 — CID 136524945

IUPAC4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)c1cc(Cl)ccn1
InChIInChI=1S/C17H24ClN3O2/c18-14-4-7-19-15(12-14)16(22)20-13-17(5-10-23-11-6-17)21-8-2-1-3-9-21/h4,7,12H,1-3,5-6,8-11,13H2,(H,20,22)
InChIKeyLISBZNXTMUATDD-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.50
Rot. Bonds4

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

4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 136524945) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
PubChem CID136524945
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)c1cc(Cl)ccn1
InChIInChI=1S/C17H24ClN3O2/c18-14-4-7-19-15(12-14)16(22)20-13-17(5-10-23-11-6-17)21-8-2-1-3-9-21/h4,7,12H,1-3,5-6,8-11,13H2,(H,20,22)
InChIKeyLISBZNXTMUATDD-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
CID 154737203
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 113364713
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide
CID 136524946
4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide (CID 136524945) is 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide is O=C(NCC1(N2CCCCC2)CCOCC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is LISBZNXTMUATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-14-4-7-19-15(12-14)16(22)20-13-17(5-10-23-11-6-17)21-8-2-1-3-9-21/h4,7,12H,1-3,5-6,8-11,13H2,(H,20,22).
What are the key properties of 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 136524945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).