N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide

C21H19N5O — CID 138525692

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C21H19N5O/c1-14(2)26-13-22-25-20(26)18-8-5-9-19(23-18)24-21(27)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,1-2H3,(H,23,24,27)
InChIKeyLOIDEKMGDFRIEV-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.33
Rot. Bonds4

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 138525692) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
PubChem CID138525692
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C21H19N5O/c1-14(2)26-13-22-25-20(26)18-8-5-9-19(23-18)24-21(27)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,1-2H3,(H,23,24,27)
InChIKeyLOIDEKMGDFRIEV-UHFFFAOYSA-N
XLogP4.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide (CID 138525692) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is LOIDEKMGDFRIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(2)26-13-22-25-20(26)18-8-5-9-19(23-18)24-21(27)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,1-2H3,(H,23,24,27).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 138525692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).