3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide

C21H20ClN3O — CID 142781165

IUPAC3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide
SMILESCC(NCc1ccc(Cl)c(-c2cccnc2C(N)=O)c1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-14(16-6-3-2-4-7-16)25-13-15-9-10-19(22)18(12-15)17-8-5-11-24-20(17)21(23)26/h2-12,14,25H,13H2,1H3,(H2,23,26)
InChIKeyWKDCIWRMEVQMDB-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.35
Rot. Bonds6

About 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide

3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide (PubChem CID 142781165) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide
PubChem CID142781165
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide
SMILESCC(NCc1ccc(Cl)c(-c2cccnc2C(N)=O)c1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-14(16-6-3-2-4-7-16)25-13-15-9-10-19(22)18(12-15)17-8-5-11-24-20(17)21(23)26/h2-12,14,25H,13H2,1H3,(H2,23,26)
InChIKeyWKDCIWRMEVQMDB-UHFFFAOYSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 69085656
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 68895617
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
N-[[4-methoxy-3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]methyl]-1-phenylethanamine
CID 22391479
N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
N-[2-chloro-5-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]-2,3-dihydrothiophene-5-carboxamide
CID 71067085

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide (CID 142781165) is 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide is CC(NCc1ccc(Cl)c(-c2cccnc2C(N)=O)c1)c1ccccc1.
What is the InChIKey of 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is WKDCIWRMEVQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14(16-6-3-2-4-7-16)25-13-15-9-10-19(22)18(12-15)17-8-5-11-24-20(17)21(23)26/h2-12,14,25H,13H2,1H3,(H2,23,26).
What are the key properties of 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide?
3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 142781165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).