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

C19H23N7O2 — CID 97239105

IUPAC(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1C[C@@H](C(=O)N[C@H](c1nc(-c3cccnc3)no1)C(C)C)CC2
InChIInChI=1S/C19H23N7O2/c1-11(2)16(19-22-17(25-28-19)13-5-4-8-20-9-13)21-18(27)14-6-7-15-24-23-12(3)26(15)10-14/h4-5,8-9,11,14,16H,6-7,10H2,1-3H3,(H,21,27)/t14-,16-/m0/s1
InChIKeyRHKVZMOYFCIZTA-HOCLYGCPSA-N
MW381.44 g/mol
LogP2.11
Rot. Bonds5

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

(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97239105) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97239105
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2n1C[C@@H](C(=O)N[C@H](c1nc(-c3cccnc3)no1)C(C)C)CC2
InChIInChI=1S/C19H23N7O2/c1-11(2)16(19-22-17(25-28-19)13-5-4-8-20-9-13)21-18(27)14-6-7-15-24-23-12(3)26(15)10-14/h4-5,8-9,11,14,16H,6-7,10H2,1-3H3,(H,21,27)/t14-,16-/m0/s1
InChIKeyRHKVZMOYFCIZTA-HOCLYGCPSA-N
XLogP2.11
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 94817594
2-cyclopent-2-en-1-yl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 51107775
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
ethyl 3-[[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56507929
2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
CID 56509929
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719
1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 126767138
1-[2-oxo-2-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-4-carboxamide
CID 70788768
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97239105) is (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2n1C[C@@H](C(=O)N[C@H](c1nc(-c3cccnc3)no1)C(C)C)CC2.
What is the InChIKey of (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RHKVZMOYFCIZTA-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-11(2)16(19-22-17(25-28-19)13-5-4-8-20-9-13)21-18(27)14-6-7-15-24-23-12(3)26(15)10-14/h4-5,8-9,11,14,16H,6-7,10H2,1-3H3,(H,21,27)/t14-,16-/m0/s1.
What are the key properties of (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97239105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).