N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide

C22H23ClN4O — CID 109173178

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C22H23ClN4O/c1-27(14-9-17-5-10-24-11-6-17)21-16-19(8-13-25-21)22(28)26-12-7-18-3-2-4-20(23)15-18/h2-6,8,10-11,13,15-16H,7,9,12,14H2,1H3,(H,26,28)
InChIKeyAVYKXDWRAVFVFF-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.78
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (PubChem CID 109173178) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
PubChem CID109173178
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C22H23ClN4O/c1-27(14-9-17-5-10-24-11-6-17)21-16-19(8-13-25-21)22(28)26-12-7-18-3-2-4-20(23)15-18/h2-6,8,10-11,13,15-16H,7,9,12,14H2,1H3,(H,26,28)
InChIKeyAVYKXDWRAVFVFF-UHFFFAOYSA-N
XLogP3.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (CID 109173178) is N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is CN(CCc1ccncc1)c1cc(C(=O)NCCc2cccc(Cl)c2)ccn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The InChIKey is AVYKXDWRAVFVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-27(14-9-17-5-10-24-11-6-17)21-16-19(8-13-25-21)22(28)26-12-7-18-3-2-4-20(23)15-18/h2-6,8,10-11,13,15-16H,7,9,12,14H2,1H3,(H,26,28).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 109173178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).