5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C18H23N3O2 — CID 109224564

IUPAC5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-3-4-9-20-16-10-15(11-19-13-16)18(22)21-12-14-7-5-6-8-17(14)23-2/h5-8,10-11,13,20H,3-4,9,12H2,1-2H3,(H,21,22)
InChIKeyDNXDFZKTYKKDQD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.23
Rot. Bonds8

About 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109224564) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109224564
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-3-4-9-20-16-10-15(11-19-13-16)18(22)21-12-14-7-5-6-8-17(14)23-2/h5-8,10-11,13,20H,3-4,9,12H2,1-2H3,(H,21,22)
InChIKeyDNXDFZKTYKKDQD-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-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109224564) is 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is CCCCNc1cncc(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is DNXDFZKTYKKDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-9-20-16-10-15(11-19-13-16)18(22)21-12-14-7-5-6-8-17(14)23-2/h5-8,10-11,13,20H,3-4,9,12H2,1-2H3,(H,21,22).
What are the key properties of 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-(butylamino)-N-[(2-methoxyphenyl)methyl]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 5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).