N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

C20H21N5O2 — CID 164619719

IUPACN-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NC2CC2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C20H21N5O2/c1-13(17-5-3-4-10-21-17)27-19-9-6-14(20(26)22-15-7-8-15)11-16(19)18-12-25(2)24-23-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKeyNTLLKKOHPKDCSW-ZDUSSCGKSA-N
MW363.42 g/mol
LogP2.91
Rot. Bonds6

About N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (PubChem CID 164619719) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
PubChem CID164619719
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NC2CC2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C20H21N5O2/c1-13(17-5-3-4-10-21-17)27-19-9-6-14(20(26)22-15-7-8-15)11-16(19)18-12-25(2)24-23-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKeyNTLLKKOHPKDCSW-ZDUSSCGKSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (CID 164619719) is N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is C[C@H](Oc1ccc(C(=O)NC2CC2)cc1-c1cn(C)nn1)c1ccccn1.
What is the InChIKey of N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The InChIKey is NTLLKKOHPKDCSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(17-5-3-4-10-21-17)27-19-9-6-14(20(26)22-15-7-8-15)11-16(19)18-12-25(2)24-23-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,22,26)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is sourced from PubChem (CID 164619719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).