4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide

C14H15N3O — CID 81407597

IUPAC4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)cc1)c1ccccn1
InChIInChI=1S/C14H15N3O/c1-10(13-4-2-3-9-16-13)17-14(18)11-5-7-12(15)8-6-11/h2-10H,15H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyBTDBEDRMMAUXKK-JTQLQIEISA-N
MW241.29 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide

4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide (PubChem CID 81407597) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
PubChem CID81407597
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)cc1)c1ccccn1
InChIInChI=1S/C14H15N3O/c1-10(13-4-2-3-9-16-13)17-14(18)11-5-7-12(15)8-6-11/h2-10H,15H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyBTDBEDRMMAUXKK-JTQLQIEISA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide (CID 81407597) is 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(N)cc1)c1ccccn1.
What is the InChIKey of 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is BTDBEDRMMAUXKK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(13-4-2-3-9-16-13)17-14(18)11-5-7-12(15)8-6-11/h2-10H,15H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide?
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 241.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 81407597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).