1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide

C20H22N6O2 — CID 39249339

IUPAC1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H22N6O2/c27-20(18-15-26(24-23-18)14-16-5-2-1-3-6-16)22-13-17-7-4-8-21-19(17)25-9-11-28-12-10-25/h1-8,15H,9-14H2,(H,22,27)
InChIKeyMKVTXMBFSCVSEL-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.49
Rot. Bonds6

About 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide

1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 39249339) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID39249339
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H22N6O2/c27-20(18-15-26(24-23-18)14-16-5-2-1-3-6-16)22-13-17-7-4-8-21-19(17)25-9-11-28-12-10-25/h1-8,15H,9-14H2,(H,22,27)
InChIKeyMKVTXMBFSCVSEL-UHFFFAOYSA-N
XLogP1.49
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 78872062
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
1-benzyl-N-(3-chloro-2-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 18153239
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 55774654
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 48986231
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide (CID 39249339) is 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide is O=C(NCc1cccnc1N1CCOCC1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is MKVTXMBFSCVSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-20(18-15-26(24-23-18)14-16-5-2-1-3-6-16)22-13-17-7-4-8-21-19(17)25-9-11-28-12-10-25/h1-8,15H,9-14H2,(H,22,27).
What are the key properties of 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 39249339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).