1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide

C25H32N6O2 — CID 156561097

IUPAC1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1cc(-c2ccncc2OC2CCNCC2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
InChIInChI=1S/C25H32N6O2/c1-17-13-18(21-9-12-27-15-23(21)33-20-7-10-26-11-8-20)5-6-19(17)14-28-24(32)22-16-31(30-29-22)25(2,3)4/h5-6,9,12-13,15-16,20,26H,7-8,10-11,14H2,1-4H3,(H,28,32)
InChIKeyCWQPQQFLGQPVRW-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.46
Rot. Bonds6

About 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide

1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 156561097) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID156561097
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1cc(-c2ccncc2OC2CCNCC2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1
InChIInChI=1S/C25H32N6O2/c1-17-13-18(21-9-12-27-15-23(21)33-20-7-10-26-11-8-20)5-6-19(17)14-28-24(32)22-16-31(30-29-22)25(2,3)4/h5-6,9,12-13,15-16,20,26H,7-8,10-11,14H2,1-4H3,(H,28,32)
InChIKeyCWQPQQFLGQPVRW-UHFFFAOYSA-N
XLogP3.46
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-N-[[2-methyl-4-[3-(1-prop-2-enoylazetidin-3-yl)oxy-4-pyridinyl]phenyl]methyl]triazole-4-carboxamide
CID 156561080
1-tert-butyl-N-[[4-[3-[1-[4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]oxy-4-pyridinyl]-2-methylphenyl]methyl]triazole-4-carboxamide
CID 156538784
1-tert-butyl-N-[[2-methyl-4-[3-[(3S)-3-(methylamino)piperidin-1-yl]-4-pyridinyl]phenyl]methyl]triazole-4-carboxamide
CID 162725169
1-tert-butyl-N-[[2-methyl-4-[3-[3-(methylamino)piperidin-1-yl]-4-pyridinyl]phenyl]methyl]triazole-4-carboxamide;hydrochloride
CID 162725209
1-tert-butyl-N-[[2-methyl-4-(5-piperazin-1-ylpyrimidin-4-yl)phenyl]methyl]triazole-4-carboxamide
CID 162725118
1-tert-butyl-N-[[2-methyl-4-[3-[3-[methyl(prop-2-enoyl)amino]-2-oxopyrrolidin-1-yl]-4-pyridinyl]phenyl]methyl]triazole-4-carboxamide
CID 162725222
1-tert-butyl-N-[[4-[3-[(3R)-3-[ethyl(prop-2-enoyl)amino]piperidin-1-yl]-4-pyridinyl]-2-methylphenyl]methyl]triazole-4-carboxamide
CID 162725054
5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 162725376
benzyl 2-[[4-[4-[[(1-tert-butyltriazole-4-carbonyl)amino]methyl]-2-fluoro-3-methylphenyl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156538685
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide (CID 156561097) is 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide is Cc1cc(-c2ccncc2OC2CCNCC2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1.
What is the InChIKey of 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is CWQPQQFLGQPVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17-13-18(21-9-12-27-15-23(21)33-20-7-10-26-11-8-20)5-6-19(17)14-28-24(32)22-16-31(30-29-22)25(2,3)4/h5-6,9,12-13,15-16,20,26H,7-8,10-11,14H2,1-4H3,(H,28,32).
What are the key properties of 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide?
1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yloxy-4-pyridinyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 156561097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).