N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H21N5O3 — CID 44626047

IUPACN-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H21N5O3/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-29-13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27)
InChIKeyJJTZKJSFQNLMJY-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.22
Rot. Bonds4

About N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626047) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626047
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H21N5O3/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-29-13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27)
InChIKeyJJTZKJSFQNLMJY-UHFFFAOYSA-N
XLogP2.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626047) is N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is JJTZKJSFQNLMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-29-13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27).
What are the key properties of N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).