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

C21H23N5O2 — CID 170948323

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc2nc(N3CCCCC3)nn2c1
InChIInChI=1S/C21H23N5O2/c27-20(22-17-10-13-28-18-7-3-2-6-16(17)18)15-8-9-19-23-21(24-26(19)14-15)25-11-4-1-5-12-25/h2-3,6-9,14,17H,1,4-5,10-13H2,(H,22,27)/t17-/m0/s1
InChIKeyVLQRUVUBIAQJPM-KRWDZBQOSA-N
MW377.45 g/mol
LogP2.97
Rot. Bonds3

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 170948323) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID170948323
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc2nc(N3CCCCC3)nn2c1
InChIInChI=1S/C21H23N5O2/c27-20(22-17-10-13-28-18-7-3-2-6-16(17)18)15-8-9-19-23-21(24-26(19)14-15)25-11-4-1-5-12-25/h2-3,6-9,14,17H,1,4-5,10-13H2,(H,22,27)/t17-/m0/s1
InChIKeyVLQRUVUBIAQJPM-KRWDZBQOSA-N
XLogP2.97
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 170948139
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
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170948223
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 17445598
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 171466726
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 174201478
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-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-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 170948323) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-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-piperidin-1-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-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1ccc2nc(N3CCCCC3)nn2c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is VLQRUVUBIAQJPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(22-17-10-13-28-18-7-3-2-6-16(17)18)15-8-9-19-23-21(24-26(19)14-15)25-11-4-1-5-12-25/h2-3,6-9,14,17H,1,4-5,10-13H2,(H,22,27)/t17-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.97, 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-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 170948323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).