N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide

C20H18ClN3O2 — CID 113027186

IUPACN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-26-17-7-4-6-14(11-17)20(25)24-19-10-9-16(13-23-19)22-12-15-5-2-3-8-18(15)21/h2-11,13,22H,12H2,1H3,(H,23,24,25)
InChIKeyVTCRMYKCLBUTAS-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.61
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113027186) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
PubChem CID113027186
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-26-17-7-4-6-14(11-17)20(25)24-19-10-9-16(13-23-19)22-12-15-5-2-3-8-18(15)21/h2-11,13,22H,12H2,1H3,(H,23,24,25)
InChIKeyVTCRMYKCLBUTAS-UHFFFAOYSA-N
XLogP4.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide (CID 113027186) is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NCc3ccccc3Cl)cn2)c1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is VTCRMYKCLBUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-17-7-4-6-14(11-17)20(25)24-19-10-9-16(13-23-19)22-12-15-5-2-3-8-18(15)21/h2-11,13,22H,12H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide?
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide has a molecular weight of 367.84 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113027186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).