N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H25N5O3 — CID 67329704

IUPACN-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(CO)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H25N5O3/c29-14-15-3-2-12-27(13-15)22(31)18-10-6-16(7-11-18)19-4-1-5-20-24-23(26-28(19)20)25-21(30)17-8-9-17/h1,4-7,10-11,15,17,29H,2-3,8-9,12-14H2,(H,25,26,30)
InChIKeyAZCMLXBEKALHCS-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.59
Rot. Bonds5

About N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67329704) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67329704
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(CO)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H25N5O3/c29-14-15-3-2-12-27(13-15)22(31)18-10-6-16(7-11-18)19-4-1-5-20-24-23(26-28(19)20)25-21(30)17-8-9-17/h1,4-7,10-11,15,17,29H,2-3,8-9,12-14H2,(H,25,26,30)
InChIKeyAZCMLXBEKALHCS-UHFFFAOYSA-N
XLogP2.59
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67329704) is N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(CO)C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AZCMLXBEKALHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-14-15-3-2-12-27(13-15)22(31)18-10-6-16(7-11-18)19-4-1-5-20-24-23(26-28(19)20)25-21(30)17-8-9-17/h1,4-7,10-11,15,17,29H,2-3,8-9,12-14H2,(H,25,26,30).
What are the key properties of N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).