5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide

C18H28ClN3O2 — CID 55856670

IUPAC5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C18H28ClN3O2/c1-13(2)24-18-16(19)11-15(12-21-18)17(23)20-7-4-8-22-9-5-14(3)6-10-22/h11-14H,4-10H2,1-3H3,(H,20,23)
InChIKeyLWKBEOKDQSZFAN-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.37
Rot. Bonds7

About 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 55856670) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID55856670
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cnc(OC(C)C)c(Cl)c2)CC1
InChIInChI=1S/C18H28ClN3O2/c1-13(2)24-18-16(19)11-15(12-21-18)17(23)20-7-4-8-22-9-5-14(3)6-10-22/h11-14H,4-10H2,1-3H3,(H,20,23)
InChIKeyLWKBEOKDQSZFAN-UHFFFAOYSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87021021
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953201
5-chloro-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953202
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 86883963
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
7-chloro-N-[4-(4-methylpiperidin-1-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 55716363
5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55959163
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 55856670) is 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide is CC1CCN(CCCNC(=O)c2cnc(OC(C)C)c(Cl)c2)CC1.
What is the InChIKey of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is LWKBEOKDQSZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-13(2)24-18-16(19)11-15(12-21-18)17(23)20-7-4-8-22-9-5-14(3)6-10-22/h11-14H,4-10H2,1-3H3,(H,20,23).
What are the key properties of 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 353.89 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 55856670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).