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

C24H27N3O2 — CID 109234185

IUPAC5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-18(2)27(17-19-9-5-4-6-10-19)22-13-21(14-25-16-22)24(28)26-15-20-11-7-8-12-23(20)29-3/h4-14,16,18H,15,17H2,1-3H3,(H,26,28)
InChIKeyJOBPNPZEVHYQLV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.44
Rot. Bonds8

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

5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234185) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234185
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-18(2)27(17-19-9-5-4-6-10-19)22-13-21(14-25-16-22)24(28)26-15-20-11-7-8-12-23(20)29-3/h4-14,16,18H,15,17H2,1-3H3,(H,26,28)
InChIKeyJOBPNPZEVHYQLV-UHFFFAOYSA-N
XLogP4.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109239760
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
CID 109239734
5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109239762
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234177
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234185) is 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JOBPNPZEVHYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)27(17-19-9-5-4-6-10-19)22-13-21(14-25-16-22)24(28)26-15-20-11-7-8-12-23(20)29-3/h4-14,16,18H,15,17H2,1-3H3,(H,26,28).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.44, 8 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-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).