N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C22H18N6O — CID 60526034

IUPACN-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccnc(-n4cncn4)c3)ccc21
InChIInChI=1S/C22H18N6O/c1-2-27-19-6-4-3-5-17(19)18-12-16(7-8-20(18)27)26-22(29)15-9-10-24-21(11-15)28-14-23-13-25-28/h3-14H,2H2,1H3,(H,26,29)
InChIKeyWVPMWRCUFTZRSA-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.04
Rot. Bonds4

About N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60526034) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60526034
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccnc(-n4cncn4)c3)ccc21
InChIInChI=1S/C22H18N6O/c1-2-27-19-6-4-3-5-17(19)18-12-16(7-8-20(18)27)26-22(29)15-9-10-24-21(11-15)28-14-23-13-25-28/h3-14H,2H2,1H3,(H,26,29)
InChIKeyWVPMWRCUFTZRSA-UHFFFAOYSA-N
XLogP4.04
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60526034) is N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CCn1c2ccccc2c2cc(NC(=O)c3ccnc(-n4cncn4)c3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is WVPMWRCUFTZRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-2-27-19-6-4-3-5-17(19)18-12-16(7-8-20(18)27)26-22(29)15-9-10-24-21(11-15)28-14-23-13-25-28/h3-14H,2H2,1H3,(H,26,29).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).