N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide

C18H16F2N6O2 — CID 153384519

IUPACN-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCC2(F)F)n1
InChIInChI=1S/C18H16F2N6O2/c1-28-17-11(4-3-9-21-17)16(27)24-14-6-2-5-12(23-14)15-25-22-10-26(15)13-7-8-18(13,19)20/h2-6,9-10,13H,7-8H2,1H3,(H,23,24,27)/t13-/m1/s1
InChIKeyJSRUQBOVGZRGQI-CYBMUJFWSA-N
MW386.36 g/mol
LogP2.97
Rot. Bonds5

About N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide

N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 153384519) has the molecular formula C18H16F2N6O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID153384519
Molecular FormulaC18H16F2N6O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC NameN-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCC2(F)F)n1
InChIInChI=1S/C18H16F2N6O2/c1-28-17-11(4-3-9-21-17)16(27)24-14-6-2-5-12(23-14)15-25-22-10-26(15)13-7-8-18(13,19)20/h2-6,9-10,13H,7-8H2,1H3,(H,23,24,27)/t13-/m1/s1
InChIKeyJSRUQBOVGZRGQI-CYBMUJFWSA-N
XLogP2.97
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 153384519) is N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCC2(F)F)n1.
What is the InChIKey of N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is JSRUQBOVGZRGQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16F2N6O2/c1-28-17-11(4-3-9-21-17)16(27)24-14-6-2-5-12(23-14)15-25-22-10-26(15)13-7-8-18(13,19)20/h2-6,9-10,13H,7-8H2,1H3,(H,23,24,27)/t13-/m1/s1.
What are the key properties of N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 153384519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).