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

C25H29N5O3 — CID 44626183

IUPACN-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCOCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-2-33-16-17-12-14-29(15-13-17)24(32)20-10-6-18(7-11-20)21-4-3-5-22-26-25(28-30(21)22)27-23(31)19-8-9-19/h3-7,10-11,17,19H,2,8-9,12-16H2,1H3,(H,27,28,31)
InChIKeyLGMPELBHOWEUSY-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.63
Rot. Bonds7

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

N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626183) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626183
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCOCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-2-33-16-17-12-14-29(15-13-17)24(32)20-10-6-18(7-11-20)21-4-3-5-22-26-25(28-30(21)22)27-23(31)19-8-9-19/h3-7,10-11,17,19H,2,8-9,12-16H2,1H3,(H,27,28,31)
InChIKeyLGMPELBHOWEUSY-UHFFFAOYSA-N
XLogP3.63
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626183) is N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CCOCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is LGMPELBHOWEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-2-33-16-17-12-14-29(15-13-17)24(32)20-10-6-18(7-11-20)21-4-3-5-22-26-25(28-30(21)22)27-23(31)19-8-9-19/h3-7,10-11,17,19H,2,8-9,12-16H2,1H3,(H,27,28,31).
What are the key properties of N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).