N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide

C21H24N6O — CID 97342742

IUPACN-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1
InChIInChI=1S/C21H24N6O/c1-26(2)20-17(9-6-12-22-20)21(28)23-16-10-11-18-24-25-19(27(18)14-16)13-15-7-4-3-5-8-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyKGXPOCZXRACKHV-INIZCTEOSA-N
MW376.46 g/mol
LogP2.07
Rot. Bonds5

About N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide

N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 97342742) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID97342742
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1
InChIInChI=1S/C21H24N6O/c1-26(2)20-17(9-6-12-22-20)21(28)23-16-10-11-18-24-25-19(27(18)14-16)13-15-7-4-3-5-8-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,28)/t16-/m0/s1
InChIKeyKGXPOCZXRACKHV-INIZCTEOSA-N
XLogP2.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
CID 97346553
N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 75473570
2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide
CID 86772369
1-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 97344282
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 39017514
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
2-(dimethylamino)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 96526140
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide (CID 97342742) is N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1.
What is the InChIKey of N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is KGXPOCZXRACKHV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)20-17(9-6-12-22-20)21(28)23-16-10-11-18-24-25-19(27(18)14-16)13-15-7-4-3-5-8-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,23,28)/t16-/m0/s1.
What are the key properties of N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 97342742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).