1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide

C18H25N5O2 — CID 42292778

IUPAC1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(C2CCCCCC2)nn1)Oc1cccnc1
InChIInChI=1S/C18H25N5O2/c1-14(25-16-9-6-10-19-12-16)11-20-18(24)17-13-23(22-21-17)15-7-4-2-3-5-8-15/h6,9-10,12-15H,2-5,7-8,11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyCTLDBUCWZMTXSE-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.77
Rot. Bonds6

About 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide

1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide (PubChem CID 42292778) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
PubChem CID42292778
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn(C2CCCCCC2)nn1)Oc1cccnc1
InChIInChI=1S/C18H25N5O2/c1-14(25-16-9-6-10-19-12-16)11-20-18(24)17-13-23(22-21-17)15-7-4-2-3-5-8-15/h6,9-10,12-15H,2-5,7-8,11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyCTLDBUCWZMTXSE-AWEZNQCLSA-N
XLogP2.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide (CID 42292778) is 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide is C[C@@H](CNC(=O)c1cn(C2CCCCCC2)nn1)Oc1cccnc1.
What is the InChIKey of 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
The InChIKey is CTLDBUCWZMTXSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(25-16-9-6-10-19-12-16)11-20-18(24)17-13-23(22-21-17)15-7-4-2-3-5-8-15/h6,9-10,12-15H,2-5,7-8,11H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide?
1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide is sourced from PubChem (CID 42292778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).