N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide

C22H14BrN5O2 — CID 4587142

IUPACN-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccncc1
InChIInChI=1S/C22H14BrN5O2/c23-15-5-6-19-14(11-15)12-16(20-25-17-3-1-2-4-18(17)26-20)22(30-19)28-27-21(29)13-7-9-24-10-8-13/h1-12H,(H,25,26)(H,27,29)
InChIKeyPUAIAZKLQVNORI-UHFFFAOYSA-N
MW460.29 g/mol
LogP4.38
Rot. Bonds3

About N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide

N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 4587142) has the molecular formula C22H14BrN5O2 and a molecular weight of 460.29 g/mol. Its IUPAC name is N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID4587142
Molecular FormulaC22H14BrN5O2
Molecular Weight460.29 g/mol
Exact Mass459.03
IUPAC NameN-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccncc1
InChIInChI=1S/C22H14BrN5O2/c23-15-5-6-19-14(11-15)12-16(20-25-17-3-1-2-4-18(17)26-20)22(30-19)28-27-21(29)13-7-9-24-10-8-13/h1-12H,(H,25,26)(H,27,29)
InChIKeyPUAIAZKLQVNORI-UHFFFAOYSA-N
XLogP4.38
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide (CID 4587142) is N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide is O=C(NN=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1)c1ccncc1.
What is the InChIKey of N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is PUAIAZKLQVNORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN5O2/c23-15-5-6-19-14(11-15)12-16(20-25-17-3-1-2-4-18(17)26-20)22(30-19)28-27-21(29)13-7-9-24-10-8-13/h1-12H,(H,25,26)(H,27,29).
What are the key properties of N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide?
N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 460.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 4587142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).