N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide

C11H14N4O3 — CID 169466149

IUPACN-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(N)c([N+](=O)[O-])c1C
InChIInChI=1S/C11H14N4O3/c1-7-9(4-3-5-13-8(2)16)6-14-11(12)10(7)15(17)18/h3-4,6H,5H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyTWWDIKYVQGDTDL-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.03
Rot. Bonds4

About N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide

N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169466149) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169466149
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(N)c([N+](=O)[O-])c1C
InChIInChI=1S/C11H14N4O3/c1-7-9(4-3-5-13-8(2)16)6-14-11(12)10(7)15(17)18/h3-4,6H,5H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyTWWDIKYVQGDTDL-UHFFFAOYSA-N
XLogP1.03
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-amino-4-methyl-5-nitro-3-pyridinyl)but-3-enal
CID 170482542
N-[3-(3-amino-2-nitrophenyl)prop-2-enyl]acetamide
CID 169465811
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830782
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
CID 169466328
3-(6-chloro-4-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474164
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
N-[3-(2-amino-3-pyridinyl)prop-2-enyl]acetamide
CID 169464873
methyl 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-enoate
CID 170501485
N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
CID 169466052

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide (CID 169466149) is N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc(N)c([N+](=O)[O-])c1C.
What is the InChIKey of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is TWWDIKYVQGDTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-9(4-3-5-13-8(2)16)6-14-11(12)10(7)15(17)18/h3-4,6H,5H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).