5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

C22H28N6O — CID 77106368

IUPAC5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1CN1CCOCC1
InChIInChI=1S/C22H28N6O/c1-15(2)28-14-21(25-26-28)20-11-19(12-24-22(20)23)17-4-5-18(16(3)10-17)13-27-6-8-29-9-7-27/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H2,23,24)
InChIKeyDDBUNYXHEOKBGR-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.31
Rot. Bonds5

About 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 77106368) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID77106368
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1CN1CCOCC1
InChIInChI=1S/C22H28N6O/c1-15(2)28-14-21(25-26-28)20-11-19(12-24-22(20)23)17-4-5-18(16(3)10-17)13-27-6-8-29-9-7-27/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H2,23,24)
InChIKeyDDBUNYXHEOKBGR-UHFFFAOYSA-N
XLogP3.31
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 77106368) is 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is Cc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1CN1CCOCC1.
What is the InChIKey of 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is DDBUNYXHEOKBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(2)28-14-21(25-26-28)20-11-19(12-24-22(20)23)17-4-5-18(16(3)10-17)13-27-6-8-29-9-7-27/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H2,23,24).
What are the key properties of 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 77106368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).