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

C21H22N4O — CID 135470905

IUPACN-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide
SMILESCC(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N\NC(=O)c1ccncc1
InChIInChI=1S/C21H22N4O/c1-13(2)15-6-7-18-17(12-15)16-4-3-5-19(20(16)23-18)24-25-21(26)14-8-10-22-11-9-14/h6-13,23H,3-5H2,1-2H3,(H,25,26)/b24-19+
InChIKeySGWJAQIGQNOSND-LYBHJNIJSA-N
MW346.43 g/mol
LogP4.16
Rot. Bonds3

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

N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide (PubChem CID 135470905) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide
PubChem CID135470905
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide
SMILESCC(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N\NC(=O)c1ccncc1
InChIInChI=1S/C21H22N4O/c1-13(2)15-6-7-18-17(12-15)16-4-3-5-19(20(16)23-18)24-25-21(26)14-8-10-22-11-9-14/h6-13,23H,3-5H2,1-2H3,(H,25,26)/b24-19+
InChIKeySGWJAQIGQNOSND-LYBHJNIJSA-N
XLogP4.16
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.16
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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CID 33625
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3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
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N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
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N-(2-(1H-indol-3-yl)ethyl)benzamide
CID 684658
(E)-3-(2-methyl-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one
CID 5718958
N'-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene)isonicotinohydrazide
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Nictindole
CID 65796

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide (CID 135470905) is N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide is CC(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is SGWJAQIGQNOSND-LYBHJNIJSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13(2)15-6-7-18-17(12-15)16-4-3-5-19(20(16)23-18)24-25-21(26)14-8-10-22-11-9-14/h6-13,23H,3-5H2,1-2H3,(H,25,26)/b24-19+.
What are the key properties of N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide?
N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 135470905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).