N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide

C17H21N3O — CID 106752308

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)c1ccnc(C)c1
InChIInChI=1S/C17H21N3O/c1-3-20(12-16-7-5-4-6-15(16)11-18)17(21)14-8-9-19-13(2)10-14/h4-10H,3,11-12,18H2,1-2H3
InChIKeyVXLGRPJVZJAIBV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.51
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide (PubChem CID 106752308) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
PubChem CID106752308
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)c1ccnc(C)c1
InChIInChI=1S/C17H21N3O/c1-3-20(12-16-7-5-4-6-15(16)11-18)17(21)14-8-9-19-13(2)10-14/h4-10H,3,11-12,18H2,1-2H3
InChIKeyVXLGRPJVZJAIBV-UHFFFAOYSA-N
XLogP2.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752591
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
CID 106752310
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
N-benzyl-N-(2-chloroethyl)-2-methylpyridine-4-carboxamide
CID 106754137
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
4-N-benzyl-4-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085601
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752589

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide (CID 106752308) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide is CCN(Cc1ccccc1CN)C(=O)c1ccnc(C)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide?
The InChIKey is VXLGRPJVZJAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(12-16-7-5-4-6-15(16)11-18)17(21)14-8-9-19-13(2)10-14/h4-10H,3,11-12,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).