5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide

C23H25N3O2 — CID 109195478

IUPAC5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)C(C)C)cn2)c1
InChIInChI=1S/C23H25N3O2/c1-17(2)26(16-18-8-5-4-6-9-18)20-12-13-22(24-15-20)23(27)25-19-10-7-11-21(14-19)28-3/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyOLATXOFLNNNSGA-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.76
Rot. Bonds7

About 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109195478) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109195478
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)C(C)C)cn2)c1
InChIInChI=1S/C23H25N3O2/c1-17(2)26(16-18-8-5-4-6-9-18)20-12-13-22(24-15-20)23(27)25-19-10-7-11-21(14-19)28-3/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyOLATXOFLNNNSGA-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846438
5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109195480
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109239760
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide (CID 109195478) is 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide is COc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)C(C)C)cn2)c1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is OLATXOFLNNNSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)26(16-18-8-5-4-6-9-18)20-12-13-22(24-15-20)23(27)25-19-10-7-11-21(14-19)28-3/h4-15,17H,16H2,1-3H3,(H,25,27).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).