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

C18H23N3O2 — CID 109211963

IUPAC4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)21-14-9-10-19-15(11-14)17(22)20-12-13-7-5-6-8-16(13)23-4/h5-11H,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyGXRVPERSHDSQTL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.23
Rot. Bonds5

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

4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211963) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109211963
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)21-14-9-10-19-15(11-14)17(22)20-12-13-7-5-6-8-16(13)23-4/h5-11H,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyGXRVPERSHDSQTL-UHFFFAOYSA-N
XLogP3.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109212040
4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109211963) is 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1cc(NC(C)(C)C)ccn1.
What is the InChIKey of 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GXRVPERSHDSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)21-14-9-10-19-15(11-14)17(22)20-12-13-7-5-6-8-16(13)23-4/h5-11H,12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).