2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

C21H22N4O2 — CID 139412930

IUPAC2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(C)C)n4)ccc32)ccn1
InChIInChI=1S/C21H22N4O2/c1-12(2)21-24-19(25-27-21)15-4-6-17-14(11-15)5-7-18(17)23-20(26)16-8-9-22-13(3)10-16/h4,6,8-12,18H,5,7H2,1-3H3,(H,23,26)/t18-/m1/s1
InChIKeyKNSCSNCXJHKTAC-GOSISDBHSA-N
MW362.43 g/mol
LogP3.98
Rot. Bonds4

About 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (PubChem CID 139412930) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
PubChem CID139412930
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(C)C)n4)ccc32)ccn1
InChIInChI=1S/C21H22N4O2/c1-12(2)21-24-19(25-27-21)15-4-6-17-14(11-15)5-7-18(17)23-20(26)16-8-9-22-13(3)10-16/h4,6,8-12,18H,5,7H2,1-3H3,(H,23,26)/t18-/m1/s1
InChIKeyKNSCSNCXJHKTAC-GOSISDBHSA-N
XLogP3.98
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (CID 139412930) is 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C(C)C)n4)ccc32)ccn1.
What is the InChIKey of 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The InChIKey is KNSCSNCXJHKTAC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12(2)21-24-19(25-27-21)15-4-6-17-14(11-15)5-7-18(17)23-20(26)16-8-9-22-13(3)10-16/h4,6,8-12,18H,5,7H2,1-3H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 139412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).