N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide

C18H23N3O2 — CID 109224372

IUPACN-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-3-4-9-20-18(22)15-10-16(13-19-12-15)21-11-14-5-7-17(23-2)8-6-14/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,20,22)
InChIKeyMOTGAQSYRSDPMD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.23
Rot. Bonds8

About N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide

N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109224372) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109224372
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-3-4-9-20-18(22)15-10-16(13-19-12-15)21-11-14-5-7-17(23-2)8-6-14/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,20,22)
InChIKeyMOTGAQSYRSDPMD-UHFFFAOYSA-N
XLogP3.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.23
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-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide (CID 109224372) is N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide is CCCCNC(=O)c1cncc(NCc2ccc(OC)cc2)c1.
What is the InChIKey of N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is MOTGAQSYRSDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-9-20-18(22)15-10-16(13-19-12-15)21-11-14-5-7-17(23-2)8-6-14/h5-8,10,12-13,21H,3-4,9,11H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109224372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).