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

C22H23N5O3 — CID 67329675

IUPACN-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(O)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H23N5O3/c28-17-3-2-12-26(13-17)21(30)16-10-6-14(7-11-16)18-4-1-5-19-23-22(25-27(18)19)24-20(29)15-8-9-15/h1,4-7,10-11,15,17,28H,2-3,8-9,12-13H2,(H,24,25,29)
InChIKeyHBABJCZUWNCLCV-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.34
Rot. Bonds4

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

N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67329675) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67329675
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(O)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H23N5O3/c28-17-3-2-12-26(13-17)21(30)16-10-6-14(7-11-16)18-4-1-5-19-23-22(25-27(18)19)24-20(29)15-8-9-15/h1,4-7,10-11,15,17,28H,2-3,8-9,12-13H2,(H,24,25,29)
InChIKeyHBABJCZUWNCLCV-UHFFFAOYSA-N
XLogP2.34
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.34
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-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67329675) is N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(O)C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is HBABJCZUWNCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-17-3-2-12-26(13-17)21(30)16-10-6-14(7-11-16)18-4-1-5-19-23-22(25-27(18)19)24-20(29)15-8-9-15/h1,4-7,10-11,15,17,28H,2-3,8-9,12-13H2,(H,24,25,29).
What are the key properties of N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67329675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).