(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide

C10H13N3O — CID 130533248

IUPAC(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide
SMILESCc1cnccc1NC(=O)/C=C/CN
InChIInChI=1S/C10H13N3O/c1-8-7-12-6-4-9(8)13-10(14)3-2-5-11/h2-4,6-7H,5,11H2,1H3,(H,12,13,14)/b3-2+
InChIKeyHALXDZHAYBWSHA-NSCUHMNNSA-N
MW191.23 g/mol
LogP0.84
Rot. Bonds3

About (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide

(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide (PubChem CID 130533248) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide
PubChem CID130533248
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide
SMILESCc1cnccc1NC(=O)/C=C/CN
InChIInChI=1S/C10H13N3O/c1-8-7-12-6-4-9(8)13-10(14)3-2-5-11/h2-4,6-7H,5,11H2,1H3,(H,12,13,14)/b3-2+
InChIKeyHALXDZHAYBWSHA-NSCUHMNNSA-N
XLogP0.84
TPSA68.01 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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
5-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 63723889
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
N-(2-amino-2-sulfanylideneethyl)-N'-(3-methyl-4-pyridinyl)oxamide
CID 63671885
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide?
The IUPAC name of (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide (CID 130533248) is (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide.
What is the SMILES notation for (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide?
The canonical SMILES for (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide is Cc1cnccc1NC(=O)/C=C/CN.
What is the InChIKey of (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide?
The InChIKey is HALXDZHAYBWSHA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-7-12-6-4-9(8)13-10(14)3-2-5-11/h2-4,6-7H,5,11H2,1H3,(H,12,13,14)/b3-2+.
What are the key properties of (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide?
(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide is sourced from PubChem (CID 130533248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).