N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H27N5O — CID 134711406

IUPACN-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCCCCN3CCCCCC3)c2)n1
InChIInChI=1S/C18H27N5O/c1-15-21-18(24-22-15)16-8-10-20-17(14-16)19-9-4-7-13-23-11-5-2-3-6-12-23/h8,10,14H,2-7,9,11-13H2,1H3,(H,19,20)
InChIKeyNQCDDYDVZAXWGQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.51
Rot. Bonds7

About N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 134711406) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID134711406
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCCCCN3CCCCCC3)c2)n1
InChIInChI=1S/C18H27N5O/c1-15-21-18(24-22-15)16-8-10-20-17(14-16)19-9-4-7-13-23-11-5-2-3-6-12-23/h8,10,14H,2-7,9,11-13H2,1H3,(H,19,20)
InChIKeyNQCDDYDVZAXWGQ-UHFFFAOYSA-N
XLogP3.51
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 75424817
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-2-amine
CID 133405841
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine
CID 133320073
N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
CID 133387573
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 133375267
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
CID 133447507
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 134711406) is N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2ccnc(NCCCCN3CCCCCC3)c2)n1.
What is the InChIKey of N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is NQCDDYDVZAXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-15-21-18(24-22-15)16-8-10-20-17(14-16)19-9-4-7-13-23-11-5-2-3-6-12-23/h8,10,14H,2-7,9,11-13H2,1H3,(H,19,20).
What are the key properties of N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 329.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 134711406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).