N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

C22H27N3O2 — CID 45195444

IUPACN-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1/C=C/CN1CCCC(CNC(=O)c2cccnc2)C1
InChIInChI=1S/C22H27N3O2/c1-27-21-11-3-2-8-19(21)10-6-14-25-13-5-7-18(17-25)15-24-22(26)20-9-4-12-23-16-20/h2-4,6,8-12,16,18H,5,7,13-15,17H2,1H3,(H,24,26)/b10-6+
InChIKeyYOCKLBXDIDDQOP-UXBLZVDNSA-N
MW365.48 g/mol
LogP3.25
Rot. Bonds7

About N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 45195444) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID45195444
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1/C=C/CN1CCCC(CNC(=O)c2cccnc2)C1
InChIInChI=1S/C22H27N3O2/c1-27-21-11-3-2-8-19(21)10-6-14-25-13-5-7-18(17-25)15-24-22(26)20-9-4-12-23-16-20/h2-4,6,8-12,16,18H,5,7,13-15,17H2,1H3,(H,24,26)/b10-6+
InChIKeyYOCKLBXDIDDQOP-UXBLZVDNSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924781
N-[1-[7-[3-(2-methoxyphenyl)prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]pyridine-3-carboxamide
CID 74417278
N-[(1R)-1-[7-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]pyridine-3-carboxamide
CID 25296487
N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 95191546
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 56918448
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide
CID 42515335
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97283559
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methylpiperazine-2-carboxylic acid
CID 56704200
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (CID 45195444) is N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is COc1ccccc1/C=C/CN1CCCC(CNC(=O)c2cccnc2)C1.
What is the InChIKey of N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is YOCKLBXDIDDQOP-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-27-21-11-3-2-8-19(21)10-6-14-25-13-5-7-18(17-25)15-24-22(26)20-9-4-12-23-16-20/h2-4,6,8-12,16,18H,5,7,13-15,17H2,1H3,(H,24,26)/b10-6+.
What are the key properties of N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 45195444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).