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

C18H23N3O2 — CID 109202686

IUPAC4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-3-4-10-19-15-9-11-20-16(12-15)18(22)21-13-14-7-5-6-8-17(14)23-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOMIXNUNSMRVBEH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.23
Rot. Bonds8

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

4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109202686) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109202686
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-3-4-10-19-15-9-11-20-16(12-15)18(22)21-13-14-7-5-6-8-17(14)23-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOMIXNUNSMRVBEH-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-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211971
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109202686) is 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is CCCCNc1ccnc(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is OMIXNUNSMRVBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-10-19-15-9-11-20-16(12-15)18(22)21-13-14-7-5-6-8-17(14)23-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-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 4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109202686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).