3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide

C16H15N5O2 — CID 136539914

IUPAC3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
SMILESCn1nncc1C(=O)Nc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C16H15N5O2/c1-21-15(10-18-20-21)16(22)19-13-2-4-14(5-3-13)23-11-12-6-8-17-9-7-12/h2-10H,11H2,1H3,(H,19,22)
InChIKeyNAZOXZXNLKWLAL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.04
Rot. Bonds5

About 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide

3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide (PubChem CID 136539914) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
PubChem CID136539914
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
SMILESCn1nncc1C(=O)Nc1ccc(OCc2ccncc2)cc1
InChIInChI=1S/C16H15N5O2/c1-21-15(10-18-20-21)16(22)19-13-2-4-14(5-3-13)23-11-12-6-8-17-9-7-12/h2-10H,11H2,1H3,(H,19,22)
InChIKeyNAZOXZXNLKWLAL-UHFFFAOYSA-N
XLogP2.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide
CID 75424808
N-methyl-4-[[4-[(1-methylindazol-5-yl)carbamoylamino]phenoxy]methyl]pyridine-2-carboxamide
CID 59987441
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
1-[[3-(propan-2-ylamino)phenyl]methyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]urea
CID 167776675
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19491015
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167958227
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide (CID 136539914) is 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide is Cn1nncc1C(=O)Nc1ccc(OCc2ccncc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide?
The InChIKey is NAZOXZXNLKWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-21-15(10-18-20-21)16(22)19-13-2-4-14(5-3-13)23-11-12-6-8-17-9-7-12/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide?
3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 136539914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).