N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C21H24N6O — CID 74249904

IUPACN-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C21H24N6O/c28-21(19-9-4-10-20(25-19)27-15-23-24-16-27)22-11-13-26-12-5-8-18(14-26)17-6-2-1-3-7-17/h1-4,6-7,9-10,15-16,18H,5,8,11-14H2,(H,22,28)
InChIKeyLNVBJTLYGTUCNV-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 74249904) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID74249904
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C21H24N6O/c28-21(19-9-4-10-20(25-19)27-15-23-24-16-27)22-11-13-26-12-5-8-18(14-26)17-6-2-1-3-7-17/h1-4,6-7,9-10,15-16,18H,5,8,11-14H2,(H,22,28)
InChIKeyLNVBJTLYGTUCNV-UHFFFAOYSA-N
XLogP2.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 74249904) is N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(NCCN1CCCC(c2ccccc2)C1)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is LNVBJTLYGTUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(19-9-4-10-20(25-19)27-15-23-24-16-27)22-11-13-26-12-5-8-18(14-26)17-6-2-1-3-7-17/h1-4,6-7,9-10,15-16,18H,5,8,11-14H2,(H,22,28).
What are the key properties of N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 74249904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).