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

C16H19N3O — CID 60923256

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)c1ccncc1
InChIInChI=1S/C16H19N3O/c1-2-19(16(20)13-7-9-18-10-8-13)12-15-6-4-3-5-14(15)11-17/h3-10H,2,11-12,17H2,1H3
InChIKeyHPTZCWRTCMKQDR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.20
Rot. Bonds5

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

N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide (PubChem CID 60923256) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
PubChem CID60923256
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1CN)C(=O)c1ccncc1
InChIInChI=1S/C16H19N3O/c1-2-19(16(20)13-7-9-18-10-8-13)12-15-6-4-3-5-14(15)11-17/h3-10H,2,11-12,17H2,1H3
InChIKeyHPTZCWRTCMKQDR-UHFFFAOYSA-N
XLogP2.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide
CID 113374706
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide (CID 60923256) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide is CCN(Cc1ccccc1CN)C(=O)c1ccncc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide?
The InChIKey is HPTZCWRTCMKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(16(20)13-7-9-18-10-8-13)12-15-6-4-3-5-14(15)11-17/h3-10H,2,11-12,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.20, 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-ethylpyridine-4-carboxamide is sourced from PubChem (CID 60923256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).