N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

C22H27N3O3 — CID 109081685

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c1
InChIInChI=1S/C22H27N3O3/c1-16-8-12-25(13-9-16)22(27)18-7-11-23-20(15-18)21(26)24-10-6-17-4-3-5-19(14-17)28-2/h3-5,7,11,14-16H,6,8-10,12-13H2,1-2H3,(H,24,26)
InChIKeyHCVAXKMTAVAOAN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109081685) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109081685
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c1
InChIInChI=1S/C22H27N3O3/c1-16-8-12-25(13-9-16)22(27)18-7-11-23-20(15-18)21(26)24-10-6-17-4-3-5-19(14-17)28-2/h3-5,7,11,14-16H,6,8-10,12-13H2,1-2H3,(H,24,26)
InChIKeyHCVAXKMTAVAOAN-UHFFFAOYSA-N
XLogP2.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081751
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088169
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227214
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103183

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109081685) is N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2cc(C(=O)N3CCC(C)CC3)ccn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is HCVAXKMTAVAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-8-12-25(13-9-16)22(27)18-7-11-23-20(15-18)21(26)24-10-6-17-4-3-5-19(14-17)28-2/h3-5,7,11,14-16H,6,8-10,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109081685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).