2-imino-N-(1-pyridin-3-ylethyl)propanamide

C10H13N3O — CID 123297788

IUPAC2-imino-N-(1-pyridin-3-ylethyl)propanamide
SMILES[H]/N=C(\C)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C10H13N3O/c1-7(11)10(14)13-8(2)9-4-3-5-12-6-9/h3-6,8,11H,1-2H3,(H,13,14)/b11-7+
InChIKeyDKUQBUDSAKFROO-YRNVUSSQSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds3

About 2-imino-N-(1-pyridin-3-ylethyl)propanamide

2-imino-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 123297788) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-imino-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-imino-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID123297788
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-imino-N-(1-pyridin-3-ylethyl)propanamide
SMILES[H]/N=C(\C)C(=O)NC(C)c1cccnc1
InChIInChI=1S/C10H13N3O/c1-7(11)10(14)13-8(2)9-4-3-5-12-6-9/h3-6,8,11H,1-2H3,(H,13,14)/b11-7+
InChIKeyDKUQBUDSAKFROO-YRNVUSSQSA-N
XLogP1.30
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 2-imino-N-(1-pyridin-3-ylethyl)propanamide (CID 123297788) is 2-imino-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 2-imino-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 2-imino-N-(1-pyridin-3-ylethyl)propanamide is [H]/N=C(\C)C(=O)NC(C)c1cccnc1.
What is the InChIKey of 2-imino-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is DKUQBUDSAKFROO-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(11)10(14)13-8(2)9-4-3-5-12-6-9/h3-6,8,11H,1-2H3,(H,13,14)/b11-7+.
What are the key properties of 2-imino-N-(1-pyridin-3-ylethyl)propanamide?
2-imino-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 191.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 123297788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).