N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide

C22H20N6O2 — CID 71184092

IUPACN-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide
SMILESC[C@@H](O)Cn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccncc3)cn2)c1
InChIInChI=1S/C22H20N6O2/c1-15(29)13-28-14-25-27-21(28)17-3-2-4-19(11-17)26-22(30)20-6-5-18(12-24-20)16-7-9-23-10-8-16/h2-12,14-15,29H,13H2,1H3,(H,26,30)/t15-/m1/s1
InChIKeyAURDZHIXKMBOGU-OAHLLOKOSA-N
MW400.44 g/mol
LogP3.04
Rot. Bonds6

About N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide

N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 71184092) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide
PubChem CID71184092
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide
SMILESC[C@@H](O)Cn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccncc3)cn2)c1
InChIInChI=1S/C22H20N6O2/c1-15(29)13-28-14-25-27-21(28)17-3-2-4-19(11-17)26-22(30)20-6-5-18(12-24-20)16-7-9-23-10-8-16/h2-12,14-15,29H,13H2,1H3,(H,26,30)/t15-/m1/s1
InChIKeyAURDZHIXKMBOGU-OAHLLOKOSA-N
XLogP3.04
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide (CID 71184092) is N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide is C[C@@H](O)Cn1cnnc1-c1cccc(NC(=O)c2ccc(-c3ccncc3)cn2)c1.
What is the InChIKey of N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is AURDZHIXKMBOGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15(29)13-28-14-25-27-21(28)17-3-2-4-19(11-17)26-22(30)20-6-5-18(12-24-20)16-7-9-23-10-8-16/h2-12,14-15,29H,13H2,1H3,(H,26,30)/t15-/m1/s1.
What are the key properties of N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide?
N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 71184092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).