4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide

C17H22N6O2 — CID 133470396

IUPAC4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C17H22N6O2/c18-16(24)13-10-19-5-4-14(13)23-7-1-6-22(8-9-23)11-15-20-17(25-21-15)12-2-3-12/h4-5,10,12H,1-3,6-9,11H2,(H2,18,24)
InChIKeyHKHWPHRTLGFKEA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.15
Rot. Bonds5

About 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide

4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide (PubChem CID 133470396) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
PubChem CID133470396
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C17H22N6O2/c18-16(24)13-10-19-5-4-14(13)23-7-1-6-22(8-9-23)11-15-20-17(25-21-15)12-2-3-12/h4-5,10,12H,1-3,6-9,11H2,(H2,18,24)
InChIKeyHKHWPHRTLGFKEA-UHFFFAOYSA-N
XLogP1.15
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 133470390
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133442574
6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329524
5-cyclopropyl-3-[[4-[7-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133401435
4-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 167873619
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 126774495
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47528091

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide (CID 133470396) is 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The InChIKey is HKHWPHRTLGFKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-16(24)13-10-19-5-4-14(13)23-7-1-6-22(8-9-23)11-15-20-17(25-21-15)12-2-3-12/h4-5,10,12H,1-3,6-9,11H2,(H2,18,24).
What are the key properties of 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133470396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).