N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide

C15H17N3O — CID 62951184

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
SMILESNCc1ccccc1CNC(=O)Cc1ccncc1
InChIInChI=1S/C15H17N3O/c16-10-13-3-1-2-4-14(13)11-18-15(19)9-12-5-7-17-8-6-12/h1-8H,9-11,16H2,(H,18,19)
InChIKeyMTEIYAKWPNAGRI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.40
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide

N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide (PubChem CID 62951184) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
PubChem CID62951184
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
SMILESNCc1ccccc1CNC(=O)Cc1ccncc1
InChIInChI=1S/C15H17N3O/c16-10-13-3-1-2-4-14(13)11-18-15(19)9-12-5-7-17-8-6-12/h1-8H,9-11,16H2,(H,18,19)
InChIKeyMTEIYAKWPNAGRI-UHFFFAOYSA-N
XLogP1.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)phenyl]methylurea
CID 62949906
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375
N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
CID 42520251
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide (CID 62951184) is N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide is NCc1ccccc1CNC(=O)Cc1ccncc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide?
The InChIKey is MTEIYAKWPNAGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-10-13-3-1-2-4-14(13)11-18-15(19)9-12-5-7-17-8-6-12/h1-8H,9-11,16H2,(H,18,19).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide?
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide has a molecular weight of 255.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 62951184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).