N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide

C16H19N3O2 — CID 62876323

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)c1ccc(CN)cc1
InChIInChI=1S/C16H19N3O2/c1-11(13-7-5-12(10-17)6-8-13)19-15(20)14-4-3-9-18-16(14)21-2/h3-9,11H,10,17H2,1-2H3,(H,19,20)
InChIKeyXEPUVNVILBLKGV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds5

About N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 62876323) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID62876323
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)c1ccc(CN)cc1
InChIInChI=1S/C16H19N3O2/c1-11(13-7-5-12(10-17)6-8-13)19-15(20)14-4-3-9-18-16(14)21-2/h3-9,11H,10,17H2,1-2H3,(H,19,20)
InChIKeyXEPUVNVILBLKGV-UHFFFAOYSA-N
XLogP2.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415816
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 60590019
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide (CID 62876323) is N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC(C)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is XEPUVNVILBLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(13-7-5-12(10-17)6-8-13)19-15(20)14-4-3-9-18-16(14)21-2/h3-9,11H,10,17H2,1-2H3,(H,19,20).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62876323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).