N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide

C18H15ClN4O — CID 135501782

IUPACN-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide
SMILESO=C(N/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C18H15ClN4O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-23-18(24)11-6-8-20-9-7-11/h4-10,21H,1-3H2,(H,23,24)/b22-16+
InChIKeyIYHPMSUEMBCZJE-CJLVFECKSA-N
MW338.80 g/mol
LogP3.69
Rot. Bonds2

About N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide

N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide (PubChem CID 135501782) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide
PubChem CID135501782
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide
SMILESO=C(N/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C18H15ClN4O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-23-18(24)11-6-8-20-9-7-11/h4-10,21H,1-3H2,(H,23,24)/b22-16+
InChIKeyIYHPMSUEMBCZJE-CJLVFECKSA-N
XLogP3.69
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-Chloro-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135569038
Gsk984
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Hymenialdisine, 28aa
CID 135457851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide (CID 135501782) is N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide is O=C(N/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1.
What is the InChIKey of N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is IYHPMSUEMBCZJE-CJLVFECKSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-23-18(24)11-6-8-20-9-7-11/h4-10,21H,1-3H2,(H,23,24)/b22-16+.
What are the key properties of N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 135501782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).