(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide

C15H15ClFN3O — CID 97120503

IUPAC(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)[C@H](CNc1ccc(Cl)cn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c16-12-3-6-14(20-9-12)19-8-11(15(18)21)7-10-1-4-13(17)5-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)/t11-/m0/s1
InChIKeyYUDNGEIDDUEJHW-NSHDSACASA-N
MW307.76 g/mol
LogP2.63
Rot. Bonds6

About (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide

(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 97120503) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID97120503
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)[C@H](CNc1ccc(Cl)cn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c16-12-3-6-14(20-9-12)19-8-11(15(18)21)7-10-1-4-13(17)5-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)/t11-/m0/s1
InChIKeyYUDNGEIDDUEJHW-NSHDSACASA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453986
(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453961
2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 56826029
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400
(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
CID 97076543
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688
(2S)-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 95317473
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide (CID 97120503) is (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide is NC(=O)[C@H](CNc1ccc(Cl)cn1)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is YUDNGEIDDUEJHW-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-12-3-6-14(20-9-12)19-8-11(15(18)21)7-10-1-4-13(17)5-2-10/h1-6,9,11H,7-8H2,(H2,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide?
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 307.76 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 97120503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).