(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide

C9H12N4O2 — CID 172842868

IUPAC(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
SMILESN[C@@H](CO)C(=O)NN=Cc1cccnc1
InChIInChI=1S/C9H12N4O2/c10-8(6-14)9(15)13-12-5-7-2-1-3-11-4-7/h1-5,8,14H,6,10H2,(H,13,15)/t8-/m0/s1
InChIKeyXANJCXICWNKOHC-QMMMGPOBSA-N
MW208.22 g/mol
LogP-1.15
Rot. Bonds4

About (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide

(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide (PubChem CID 172842868) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
PubChem CID172842868
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
SMILESN[C@@H](CO)C(=O)NN=Cc1cccnc1
InChIInChI=1S/C9H12N4O2/c10-8(6-14)9(15)13-12-5-7-2-1-3-11-4-7/h1-5,8,14H,6,10H2,(H,13,15)/t8-/m0/s1
InChIKeyXANJCXICWNKOHC-QMMMGPOBSA-N
XLogP-1.15
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126203787
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
CID 137255353
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide (CID 172842868) is (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide is N[C@@H](CO)C(=O)NN=Cc1cccnc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide?
The InChIKey is XANJCXICWNKOHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8(6-14)9(15)13-12-5-7-2-1-3-11-4-7/h1-5,8,14H,6,10H2,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide?
(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide has a molecular weight of 208.22 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide is sourced from PubChem (CID 172842868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).