N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C27H30N6O2 — CID 167956957

IUPACN-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)c1ccc(C(CNC(=O)C(C)(C)c2ccccn2)NC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C27H30N6O2/c1-18(2)19-8-10-20(11-9-19)22(15-29-26(35)27(3,4)23-7-5-6-14-28-23)31-25(34)21-12-13-24-32-30-17-33(24)16-21/h5-14,16-18,22H,15H2,1-4H3,(H,29,35)(H,31,34)
InChIKeyRGSPBJZRFKYMLI-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.81
Rot. Bonds8

About N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 167956957) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID167956957
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)c1ccc(C(CNC(=O)C(C)(C)c2ccccn2)NC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C27H30N6O2/c1-18(2)19-8-10-20(11-9-19)22(15-29-26(35)27(3,4)23-7-5-6-14-28-23)31-25(34)21-12-13-24-32-30-17-33(24)16-21/h5-14,16-18,22H,15H2,1-4H3,(H,29,35)(H,31,34)
InChIKeyRGSPBJZRFKYMLI-UHFFFAOYSA-N
XLogP3.81
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid
CID 75421347
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95905642
[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 97014408
N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164614195
N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71862115
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164612204
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166571517
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166215287
[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid
CID 146220101

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 167956957) is N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)c1ccc(C(CNC(=O)C(C)(C)c2ccccn2)NC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RGSPBJZRFKYMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18(2)19-8-10-20(11-9-19)22(15-29-26(35)27(3,4)23-7-5-6-14-28-23)31-25(34)21-12-13-24-32-30-17-33(24)16-21/h5-14,16-18,22H,15H2,1-4H3,(H,29,35)(H,31,34).
What are the key properties of N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 167956957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).