N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide

C23H25N3O2 — CID 109212162

IUPACN-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCCCc3ccccc3)ccn2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-21-11-9-19(10-12-21)17-26-23(27)22-16-20(13-15-25-22)24-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14,17H2,1H3,(H,24,25)(H,26,27)
InChIKeyQGOXQOSIMQEOAY-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.06
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109212162) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109212162
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCCCc3ccccc3)ccn2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-21-11-9-19(10-12-21)17-26-23(27)22-16-20(13-15-25-22)24-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14,17H2,1H3,(H,24,25)(H,26,27)
InChIKeyQGOXQOSIMQEOAY-UHFFFAOYSA-N
XLogP4.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109349158
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210055
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109212162) is N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(NCCCc3ccccc3)ccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is QGOXQOSIMQEOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-21-11-9-19(10-12-21)17-26-23(27)22-16-20(13-15-25-22)24-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14,17H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109212162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).