5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide

C19H22ClN3O2 — CID 133464880

IUPAC5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CC2CCN(c3ncc(C(N)=O)cc3Cl)CC2)c1
InChIInChI=1S/C19H22ClN3O2/c1-25-16-4-2-3-14(10-16)9-13-5-7-23(8-6-13)19-17(20)11-15(12-22-19)18(21)24/h2-4,10-13H,5-9H2,1H3,(H2,21,24)
InChIKeyRLFAIEZGBBDUHR-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.30
Rot. Bonds5

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

5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133464880) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133464880
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CC2CCN(c3ncc(C(N)=O)cc3Cl)CC2)c1
InChIInChI=1S/C19H22ClN3O2/c1-25-16-4-2-3-14(10-16)9-13-5-7-23(8-6-13)19-17(20)11-15(12-22-19)18(21)24/h2-4,10-13H,5-9H2,1H3,(H2,21,24)
InChIKeyRLFAIEZGBBDUHR-UHFFFAOYSA-N
XLogP3.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875
5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133324791
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 162444949
1-tert-butyl-4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133464925
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 94124833
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 133464880) is 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide is COc1cccc(CC2CCN(c3ncc(C(N)=O)cc3Cl)CC2)c1.
What is the InChIKey of 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RLFAIEZGBBDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-25-16-4-2-3-14(10-16)9-13-5-7-23(8-6-13)19-17(20)11-15(12-22-19)18(21)24/h2-4,10-13H,5-9H2,1H3,(H2,21,24).
What are the key properties of 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133464880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).