(2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide

C16H18N4O3 — CID 24901614

IUPAC(2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H18N4O3/c17-13(16(18)22)7-8-14(21)20-11-6-9-15(19-10-11)23-12-4-2-1-3-5-12/h1-6,9-10,13H,7-8,17H2,(H2,18,22)(H,20,21)/t13-/m0/s1
InChIKeyLJOISTVTSQVPGY-ZDUSSCGKSA-N
MW314.35 g/mol
LogP1.41
Rot. Bonds7

About (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide

(2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide (PubChem CID 24901614) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide
PubChem CID24901614
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C16H18N4O3/c17-13(16(18)22)7-8-14(21)20-11-6-9-15(19-10-11)23-12-4-2-1-3-5-12/h1-6,9-10,13H,7-8,17H2,(H2,18,22)(H,20,21)/t13-/m0/s1
InChIKeyLJOISTVTSQVPGY-ZDUSSCGKSA-N
XLogP1.41
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Fluorophenoxy)pyridin-3-amine
CID 2800656
6-(4-Fluorophenoxy)pyridin-3-amine
CID 421224
6-Phenoxy-3-pyridinamine
CID 212856
(2S)-2-amino-4-({4-[4-(1H-pyrrol-1-yl)phenoxy]phenyl}carbamoyl)butanoic acid
CID 24901628
(4S)-4-amino-N-(4-phenoxyphenyl)-5-(1H-pyrrol-1-yl)pentanamide
CID 24901642
N-[2-(2,4-difluorophenoxy)pyridin-3-yl]-2-methylacrylamide
CID 2800710
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
N-[4-(3-pyridin-1-ium-1-ylpropoxy)phenyl]acetamide chloride
CID 16188723
2-Phenoxy-N-(3-pyridinyl)acetamide
CID 309156
6-(4-Methoxyphenoxy)pyridin-3-amine
CID 2800165
2-phenoxy-N-pyridin-3-ylpropanamide
CID 2897820
2-(4-methoxyphenoxy)-N-3-pyridinylpropanamide
CID 2952561

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide (CID 24901614) is (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide is NC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide?
The InChIKey is LJOISTVTSQVPGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-13(16(18)22)7-8-14(21)20-11-6-9-15(19-10-11)23-12-4-2-1-3-5-12/h1-6,9-10,13H,7-8,17H2,(H2,18,22)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide?
(2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide has a molecular weight of 314.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-(6-phenoxy-3-pyridinyl)pentanediamide is sourced from PubChem (CID 24901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).