N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide

C16H19N3O — CID 43276007

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1cccnc1)c1ccc(CN)cc1
InChIInChI=1S/C16H19N3O/c1-12(2)19(15-7-5-13(10-17)6-8-15)16(20)14-4-3-9-18-11-14/h3-9,11-12H,10,17H2,1-2H3
InChIKeyKGTPJVOJCDJEMC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.60
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide

N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 43276007) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID43276007
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1cccnc1)c1ccc(CN)cc1
InChIInChI=1S/C16H19N3O/c1-12(2)19(15-7-5-13(10-17)6-8-15)16(20)14-4-3-9-18-11-14/h3-9,11-12H,10,17H2,1-2H3
InChIKeyKGTPJVOJCDJEMC-UHFFFAOYSA-N
XLogP2.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
CID 52988212
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 11042850
5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 86847745
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964
N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 166362090
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide (CID 43276007) is N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C(=O)c1cccnc1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KGTPJVOJCDJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)19(15-7-5-13(10-17)6-8-15)16(20)14-4-3-9-18-11-14/h3-9,11-12H,10,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 43276007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).