N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H20ClN5O2 — CID 133422837

IUPACN-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCc3cnc(OCC(C)C)c(Cl)c3)c2)n1
InChIInChI=1S/C18H20ClN5O2/c1-11(2)10-25-18-15(19)6-13(9-22-18)8-21-16-7-14(4-5-20-16)17-23-12(3)24-26-17/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)
InChIKeyIATIDQDEZNYDEV-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.14
Rot. Bonds7

About N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133422837) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133422837
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCc3cnc(OCC(C)C)c(Cl)c3)c2)n1
InChIInChI=1S/C18H20ClN5O2/c1-11(2)10-25-18-15(19)6-13(9-22-18)8-21-16-7-14(4-5-20-16)17-23-12(3)24-26-17/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)
InChIKeyIATIDQDEZNYDEV-UHFFFAOYSA-N
XLogP4.14
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 167800163
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 133375267
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317454
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383095
N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 134711406
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-2-amine
CID 133405841
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
CID 133447507
2-N-benzyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
CID 170305584
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133422837) is N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2ccnc(NCc3cnc(OCC(C)C)c(Cl)c3)c2)n1.
What is the InChIKey of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is IATIDQDEZNYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-11(2)10-25-18-15(19)6-13(9-22-18)8-21-16-7-14(4-5-20-16)17-23-12(3)24-26-17/h4-7,9,11H,8,10H2,1-3H3,(H,20,21).
What are the key properties of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 373.84 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133422837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).