1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide

C19H22N6O2 — CID 71794649

IUPAC1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
SMILESCc1noc(-c2cccnc2N2CCC(NC(=O)c3cccn3C)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-13-21-19(27-23-13)15-5-3-9-20-17(15)25-11-7-14(8-12-25)22-18(26)16-6-4-10-24(16)2/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,22,26)
InChIKeyFHKHYEFUWBTLRO-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.18
Rot. Bonds4

About 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide

1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide (PubChem CID 71794649) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
PubChem CID71794649
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
SMILESCc1noc(-c2cccnc2N2CCC(NC(=O)c3cccn3C)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-13-21-19(27-23-13)15-5-3-9-20-17(15)25-11-7-14(8-12-25)22-18(26)16-6-4-10-24(16)2/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,22,26)
InChIKeyFHKHYEFUWBTLRO-UHFFFAOYSA-N
XLogP2.18
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 71794521
N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 95781588
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
N-cyclopentyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135809
1-(4-ethylpiperazin-1-yl)-2-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]ethanone
CID 133321152
N-cyclohexyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53135810
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
CID 133328444

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide (CID 71794649) is 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide is Cc1noc(-c2cccnc2N2CCC(NC(=O)c3cccn3C)CC2)n1.
What is the InChIKey of 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide?
The InChIKey is FHKHYEFUWBTLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-21-19(27-23-13)15-5-3-9-20-17(15)25-11-7-14(8-12-25)22-18(26)16-6-4-10-24(16)2/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,22,26).
What are the key properties of 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide?
1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 71794649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).