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

C18H19N5O2 — CID 164614079

IUPACN-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESCNC(=O)c1ccc(O[C@@H](C)c2ccccn2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C18H19N5O2/c1-12(15-6-4-5-9-20-15)25-17-8-7-13(18(24)19-2)10-14(17)16-11-23(3)22-21-16/h4-12H,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyWJCQAWUMEIEFAA-LBPRGKRZSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds5

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

N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (PubChem CID 164614079) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.

Molecular Properties

Compound NameN-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
PubChem CID164614079
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESCNC(=O)c1ccc(O[C@@H](C)c2ccccn2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C18H19N5O2/c1-12(15-6-4-5-9-20-15)25-17-8-7-13(18(24)19-2)10-14(17)16-11-23(3)22-21-16/h4-12H,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyWJCQAWUMEIEFAA-LBPRGKRZSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The IUPAC name of N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (CID 164614079) is N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.
What is the SMILES notation for N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The canonical SMILES for N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is CNC(=O)c1ccc(O[C@@H](C)c2ccccn2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The InChIKey is WJCQAWUMEIEFAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(15-6-4-5-9-20-15)25-17-8-7-13(18(24)19-2)10-14(17)16-11-23(3)22-21-16/h4-12H,1-3H3,(H,19,24)/t12-/m0/s1.
What are the key properties of N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is sourced from PubChem (CID 164614079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).