N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide

C19H21N5O — CID 96523889

IUPACN-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide
SMILESCC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C19H21N5O/c1-4-17(14-8-10-20-11-9-14)24(3)19(25)16-7-5-6-15(12-16)18-21-13(2)22-23-18/h5-12,17H,4H2,1-3H3,(H,21,22,23)/t17-/m0/s1
InChIKeyRVXAUBNPOVQELG-KRWDZBQOSA-N
MW335.41 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide

N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide (PubChem CID 96523889) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide
PubChem CID96523889
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide
SMILESCC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C19H21N5O/c1-4-17(14-8-10-20-11-9-14)24(3)19(25)16-7-5-6-15(12-16)18-21-13(2)22-23-18/h5-12,17H,4H2,1-3H3,(H,21,22,23)/t17-/m0/s1
InChIKeyRVXAUBNPOVQELG-KRWDZBQOSA-N
XLogP3.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide?
The IUPAC name of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide (CID 96523889) is N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide.
What is the SMILES notation for N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide?
The canonical SMILES for N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide is CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(-c2n[nH]c(C)n2)c1.
What is the InChIKey of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide?
The InChIKey is RVXAUBNPOVQELG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-4-17(14-8-10-20-11-9-14)24(3)19(25)16-7-5-6-15(12-16)18-21-13(2)22-23-18/h5-12,17H,4H2,1-3H3,(H,21,22,23)/t17-/m0/s1.
What are the key properties of N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide?
N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-4-ylpropyl]benzamide is sourced from PubChem (CID 96523889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).