(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide

C15H14F2N4O2 — CID 68996544

IUPAC(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide
SMILESNC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N4O2/c16-10-3-9(4-11(17)5-10)13(14(19)22)15(23)21-7-8-1-2-12(18)20-6-8/h1-6,13H,7H2,(H2,18,20)(H2,19,22)(H,21,23)/t13-/m0/s1
InChIKeyMTAULPLRBKZHDE-ZDUSSCGKSA-N
MW320.30 g/mol
LogP0.83
Rot. Bonds5

About (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide

(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide (PubChem CID 68996544) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide.

Molecular Properties

Compound Name(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide
PubChem CID68996544
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide
SMILESNC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N4O2/c16-10-3-9(4-11(17)5-10)13(14(19)22)15(23)21-7-8-1-2-12(18)20-6-8/h1-6,13H,7H2,(H2,18,20)(H2,19,22)(H,21,23)/t13-/m0/s1
InChIKeyMTAULPLRBKZHDE-ZDUSSCGKSA-N
XLogP0.83
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3-methylphenyl)propanediamide
CID 68996888
(3S)-N'-[(6-amino-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(methylamino)-2-propan-2-ylbutanediamide
CID 140547517
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(4-fluorophenyl)-2-[[(2R)-2-(methylamino)propanoyl]amino]propanamide
CID 67029632
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(4-fluorophenyl)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanamide
CID 67029540
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-hydroxybutanamide
CID 52917105
(2S)-N-[(6-amino-3-pyridinyl)methyl]-2-[[(2S)-2-[di(propan-2-yl)amino]propanoyl]amino]-3-(4-fluorophenyl)propanamide
CID 68529276
(2S)-N-[(6-amino-3-pyridinyl)methyl]-2-[2-[ethyl(methyl)amino]propanoylamino]-3-(4-fluorophenyl)propanamide
CID 68527497
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1H-pyrrole-2-carboxamide
CID 67030303
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[2-(methylamino)propanoylamino]propanamide
CID 68529085
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
CID 67207201
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)propanoylamino]propanamide
CID 67207549
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[[(2S)-2-[di(propan-2-yl)amino]propanoyl]amino]propanamide
CID 68529385

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide?
The IUPAC name of (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide (CID 68996544) is (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide.
What is the SMILES notation for (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide?
The canonical SMILES for (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide is NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide?
The InChIKey is MTAULPLRBKZHDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-10-3-9(4-11(17)5-10)13(14(19)22)15(23)21-7-8-1-2-12(18)20-6-8/h1-6,13H,7H2,(H2,18,20)(H2,19,22)(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide?
(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide has a molecular weight of 320.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3,5-difluorophenyl)propanediamide is sourced from PubChem (CID 68996544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).