5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C21H23N7O — CID 175003097

IUPAC5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(-c2ncccc2C2=CCCN(C(N)=O)C2)n1
InChIInChI=1S/C21H23N7O/c1-14(2)28-13-24-26-20(28)18-9-3-8-17(25-18)19-16(7-4-10-23-19)15-6-5-11-27(12-15)21(22)29/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H2,22,29)
InChIKeyBYLQVSAUDLYVJM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.15
Rot. Bonds4

About 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 175003097) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID175003097
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(-c2ncccc2C2=CCCN(C(N)=O)C2)n1
InChIInChI=1S/C21H23N7O/c1-14(2)28-13-24-26-20(28)18-9-3-8-17(25-18)19-16(7-4-10-23-19)15-6-5-11-27(12-15)21(22)29/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H2,22,29)
InChIKeyBYLQVSAUDLYVJM-UHFFFAOYSA-N
XLogP3.15
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 175003097) is 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)n1cnnc1-c1cccc(-c2ncccc2C2=CCCN(C(N)=O)C2)n1.
What is the InChIKey of 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BYLQVSAUDLYVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-14(2)28-13-24-26-20(28)18-9-3-8-17(25-18)19-16(7-4-10-23-19)15-6-5-11-27(12-15)21(22)29/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H2,22,29).
What are the key properties of 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 175003097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).