2-(benzylamino)-2-pyridin-4-ylpropanamide

C15H17N3O — CID 54891502

IUPAC2-(benzylamino)-2-pyridin-4-ylpropanamide
SMILESCC(NCc1ccccc1)(C(N)=O)c1ccncc1
InChIInChI=1S/C15H17N3O/c1-15(14(16)19,13-7-9-17-10-8-13)18-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,16,19)
InChIKeyNREMELGCSYVLFJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.57
Rot. Bonds5

About 2-(benzylamino)-2-pyridin-4-ylpropanamide

2-(benzylamino)-2-pyridin-4-ylpropanamide (PubChem CID 54891502) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(benzylamino)-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(benzylamino)-2-pyridin-4-ylpropanamide
PubChem CID54891502
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(benzylamino)-2-pyridin-4-ylpropanamide
SMILESCC(NCc1ccccc1)(C(N)=O)c1ccncc1
InChIInChI=1S/C15H17N3O/c1-15(14(16)19,13-7-9-17-10-8-13)18-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,16,19)
InChIKeyNREMELGCSYVLFJ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913529
N-(1-amino-1-oxo-2-phenylpropan-2-yl)pyridine-4-carboxamide
CID 139000795
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
3-pyridin-3-yl-2-pyridin-4-yl-2-(pyridin-4-ylmethylamino)propanamide
CID 142792044
2-(cyclopropylamino)-2-pyridin-4-ylpropanamide
CID 60795921
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-pyridin-4-ylpropanamide?
The IUPAC name of 2-(benzylamino)-2-pyridin-4-ylpropanamide (CID 54891502) is 2-(benzylamino)-2-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(benzylamino)-2-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(benzylamino)-2-pyridin-4-ylpropanamide is CC(NCc1ccccc1)(C(N)=O)c1ccncc1.
What is the InChIKey of 2-(benzylamino)-2-pyridin-4-ylpropanamide?
The InChIKey is NREMELGCSYVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(14(16)19,13-7-9-17-10-8-13)18-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,16,19).
What are the key properties of 2-(benzylamino)-2-pyridin-4-ylpropanamide?
2-(benzylamino)-2-pyridin-4-ylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 54891502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).