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

C21H20ClN3O — CID 68854440

IUPACN-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1cccnc1
InChIInChI=1S/C21H20ClN3O/c22-19-9-8-17(14-24-12-10-16-5-2-1-3-6-16)13-20(19)25-21(26)18-7-4-11-23-15-18/h1-9,11,13,15,24H,10,12,14H2,(H,25,26)
InChIKeyDPICCWKRRWQCSE-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.32
Rot. Bonds7

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

N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 68854440) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID68854440
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1cccnc1
InChIInChI=1S/C21H20ClN3O/c22-19-9-8-17(14-24-12-10-16-5-2-1-3-6-16)13-20(19)25-21(26)18-7-4-11-23-15-18/h1-9,11,13,15,24H,10,12,14H2,(H,25,26)
InChIKeyDPICCWKRRWQCSE-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
CID 68854486
2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide
CID 68854438
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 68854212
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]pyridine-3-carboxamide
CID 39184826
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
methyl 4-chloro-3-[3-(pyridin-3-ylmethylamino)propanoylamino]benzoate
CID 109023727
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide (CID 68854440) is N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1cccnc1.
What is the InChIKey of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DPICCWKRRWQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-19-9-8-17(14-24-12-10-16-5-2-1-3-6-16)13-20(19)25-21(26)18-7-4-11-23-15-18/h1-9,11,13,15,24H,10,12,14H2,(H,25,26).
What are the key properties of N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide?
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 68854440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).