N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide

C16H21N3O — CID 6393799

IUPACN-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide
SMILESCCCCCC1=CCC/C1=N\NC(=O)c1ccncc1
InChIInChI=1S/C16H21N3O/c1-2-3-4-6-13-7-5-8-15(13)18-19-16(20)14-9-11-17-12-10-14/h7,9-12H,2-6,8H2,1H3,(H,19,20)/b18-15+
InChIKeyKYDHBKGAWAKHGJ-OBGWFSINSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds6

About N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide

N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide (PubChem CID 6393799) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide
PubChem CID6393799
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide
SMILESCCCCCC1=CCC/C1=N\NC(=O)c1ccncc1
InChIInChI=1S/C16H21N3O/c1-2-3-4-6-13-7-5-8-15(13)18-19-16(20)14-9-11-17-12-10-14/h7,9-12H,2-6,8H2,1H3,(H,19,20)/b18-15+
InChIKeyKYDHBKGAWAKHGJ-OBGWFSINSA-N
XLogP3.47
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide (CID 6393799) is N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide is CCCCCC1=CCC/C1=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is KYDHBKGAWAKHGJ-OBGWFSINSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-3-4-6-13-7-5-8-15(13)18-19-16(20)14-9-11-17-12-10-14/h7,9-12H,2-6,8H2,1H3,(H,19,20)/b18-15+.
What are the key properties of N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide?
N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-pentylcyclopent-2-en-1-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 6393799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).