N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide

C16H12N4O3 — CID 5378362

IUPACN-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccncc1
InChIInChI=1S/C16H12N4O3/c17-14(21)12-9-11-3-1-2-4-13(11)23-16(12)20-19-15(22)10-5-7-18-8-6-10/h1-9H,(H2,17,21)(H,19,22)/b20-16-
InChIKeyOXORPMPLPMXZQH-SILNSSARSA-N
MW308.30 g/mol
LogP1.17
Rot. Bonds3

About N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide

N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide (PubChem CID 5378362) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide
PubChem CID5378362
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide
SMILESNC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccncc1
InChIInChI=1S/C16H12N4O3/c17-14(21)12-9-11-3-1-2-4-13(11)23-16(12)20-19-15(22)10-5-7-18-8-6-10/h1-9H,(H2,17,21)(H,19,22)/b20-16-
InChIKeyOXORPMPLPMXZQH-SILNSSARSA-N
XLogP1.17
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide (CID 5378362) is N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide is NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is OXORPMPLPMXZQH-SILNSSARSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-14(21)12-9-11-3-1-2-4-13(11)23-16(12)20-19-15(22)10-5-7-18-8-6-10/h1-9H,(H2,17,21)(H,19,22)/b20-16-.
What are the key properties of N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide?
N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 5378362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).