N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C21H17N5O2 — CID 170948210

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C21H17N5O2/c27-21(23-17-9-11-28-18-6-2-1-5-16(17)18)15-7-8-19-24-20(25-26(19)13-15)14-4-3-10-22-12-14/h1-8,10,12-13,17H,9,11H2,(H,23,27)/t17-/m0/s1
InChIKeySDGYELRHEJRYNF-KRWDZBQOSA-N
MW371.40 g/mol
LogP3.04
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 170948210) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID170948210
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C21H17N5O2/c27-21(23-17-9-11-28-18-6-2-1-5-16(17)18)15-7-8-19-24-20(25-26(19)13-15)14-4-3-10-22-12-14/h1-8,10,12-13,17H,9,11H2,(H,23,27)/t17-/m0/s1
InChIKeySDGYELRHEJRYNF-KRWDZBQOSA-N
XLogP3.04
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948323
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948274
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170948223
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide
CID 71538143
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164874875
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 170948139

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 170948210) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1ccc2nc(-c3cccnc3)nn2c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is SDGYELRHEJRYNF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-21(23-17-9-11-28-18-6-2-1-5-16(17)18)15-7-8-19-24-20(25-26(19)13-15)14-4-3-10-22-12-14/h1-8,10,12-13,17H,9,11H2,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 170948210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).