N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide

C21H22N6O2 — CID 90256613

IUPACN,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)N(C)C)n4)c3c2)o1
InChIInChI=1S/C21H22N6O2/c1-12(2)23-21-26-25-19(29-21)13-8-9-16-14(10-13)15(11-22-16)17-6-5-7-18(24-17)20(28)27(3)4/h5-12,22H,1-4H3,(H,23,26)
InChIKeyMTDOMZCSLNXWQL-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.80
Rot. Bonds5

About N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide

N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide (PubChem CID 90256613) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
PubChem CID90256613
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)N(C)C)n4)c3c2)o1
InChIInChI=1S/C21H22N6O2/c1-12(2)23-21-26-25-19(29-21)13-8-9-16-14(10-13)15(11-22-16)17-6-5-7-18(24-17)20(28)27(3)4/h5-12,22H,1-4H3,(H,23,26)
InChIKeyMTDOMZCSLNXWQL-UHFFFAOYSA-N
XLogP3.80
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554898
5-(1H-indol-5-yl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 77106364
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(1H-indol-5-yl)-2-pyridinamine
CID 77106960
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 60202646
5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554555
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554557
5-(3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl)-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 66554727
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554728
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 66554730
5-[3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554904
5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555074
5-[3-[6-(2-methylpiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555076

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide (CID 90256613) is N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)N(C)C)n4)c3c2)o1.
What is the InChIKey of N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The InChIKey is MTDOMZCSLNXWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12(2)23-21-26-25-19(29-21)13-8-9-16-14(10-13)15(11-22-16)17-6-5-7-18(24-17)20(28)27(3)4/h5-12,22H,1-4H3,(H,23,26).
What are the key properties of N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90256613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).