N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide

C21H27N3O2 — CID 109159052

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC(C)C3)nc2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-3-13-24(15-16)20-10-7-18(14-23-20)21(25)22-12-11-17-5-8-19(26-2)9-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,22,25)
InChIKeyDNGWBXVSALQIKM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109159052) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109159052
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC(C)C3)nc2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-3-13-24(15-16)20-10-7-18(14-23-20)21(25)22-12-11-17-5-8-19(26-2)9-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,22,25)
InChIKeyDNGWBXVSALQIKM-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 45221796
6-[(3R)-3-(aminomethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 95226323
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214
N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 29255180
6-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742685
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56755893
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124665
6-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161701
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 109159052) is N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(N3CCCC(C)C3)nc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is DNGWBXVSALQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-3-13-24(15-16)20-10-7-18(14-23-20)21(25)22-12-11-17-5-8-19(26-2)9-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).