5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

C24H30ClN3O2 — CID 44526977

IUPAC5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1
InChIInChI=1S/C24H30ClN3O2/c1-16(2)18-4-3-5-21(12-18)30-15-17-8-10-28(11-9-17)23-22(25)13-19(14-26-23)24(29)27-20-6-7-20/h3-5,12-14,16-17,20H,6-11,15H2,1-2H3,(H,27,29)
InChIKeyZZEOIRSJYAXPNE-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.05
Rot. Bonds7

About 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526977) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526977
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1
InChIInChI=1S/C24H30ClN3O2/c1-16(2)18-4-3-5-21(12-18)30-15-17-8-10-28(11-9-17)23-22(25)13-19(14-26-23)24(29)27-20-6-7-20/h3-5,12-14,16-17,20H,6-11,15H2,1-2H3,(H,27,29)
InChIKeyZZEOIRSJYAXPNE-UHFFFAOYSA-N
XLogP5.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide
CID 46919335
3-({5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)benzamide
CID 470686
5-[(1S,5R)-6-acetyl-6-azabicyclo[3.2.2]non-2-en-3-yl]-N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2,3-dihydro-1-benzofuran-6-ylmethylamino)pyridine-3-carboxamide
CID 122182046
N-{2-[4-(5-Chloro-pyridin-2-yl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 44369020
6-Chloro-2-(3-methoxy-phenyl)-1H-[1,8]naphthyridin-4-one
CID 381135
n-Isopropyl-1-[3-(3-ethoxyphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274114
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CID 11526863
5-chloro-6-(4-(1-(4-cyanobenzoyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
CID 11635543
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
CID 11713886
N-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-yl)-5-methylnicotinamide
CID 11963995
2-[4-(tert-butyl)-2-(piperidin-4-yloxy)benzoylamino]-N-(5-chloropyrdin-2-yl)benzamide
CID 44434213
5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
CID 45484739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526977) is 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is CC(C)c1cccc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZZEOIRSJYAXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-16(2)18-4-3-5-21(12-18)30-15-17-8-10-28(11-9-17)23-22(25)13-19(14-26-23)24(29)27-20-6-7-20/h3-5,12-14,16-17,20H,6-11,15H2,1-2H3,(H,27,29).
What are the key properties of 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-[4-[(3-propan-2-ylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).