2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

C16H16N6O4 — CID 54602538

IUPAC2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C16H16N6O4/c1-11-4-2-7-14(19-11)20-16(24)17-10-15(23)21-18-9-12-5-3-6-13(8-12)22(25)26/h2-9H,10H2,1H3,(H,21,23)(H2,17,19,20,24)/b18-9+
InChIKeyYGMOUQOWIFIMOM-GIJQJNRQSA-N
MW356.34 g/mol
LogP1.57
Rot. Bonds6

About 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 54602538) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID54602538
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C16H16N6O4/c1-11-4-2-7-14(19-11)20-16(24)17-10-15(23)21-18-9-12-5-3-6-13(8-12)22(25)26/h2-9H,10H2,1H3,(H,21,23)(H2,17,19,20,24)/b18-9+
InChIKeyYGMOUQOWIFIMOM-GIJQJNRQSA-N
XLogP1.57
TPSA138.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4998778
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264
N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925009
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941
3-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]-3-oxopropanamide
CID 11430114
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (CID 54602538) is 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is Cc1cccc(NC(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is YGMOUQOWIFIMOM-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16N6O4/c1-11-4-2-7-14(19-11)20-16(24)17-10-15(23)21-18-9-12-5-3-6-13(8-12)22(25)26/h2-9H,10H2,1H3,(H,21,23)(H2,17,19,20,24)/b18-9+.
What are the key properties of 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 356.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)carbamoylamino]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 54602538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).