N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide

C24H25N5O3 — CID 10296399

IUPACN-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Oc1ccc2nn(C)nc2c1)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C24H25N5O3/c1-15(16-7-9-17(10-8-16)24(2,3)31)26-22(30)19-6-5-13-25-23(19)32-18-11-12-20-21(14-18)28-29(4)27-20/h5-15,31H,1-4H3,(H,26,30)/t15-/m1/s1
InChIKeyBNDIZFRYWFDJLC-OAHLLOKOSA-N
MW431.50 g/mol
LogP3.87
Rot. Bonds6

About N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide

N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide (PubChem CID 10296399) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
PubChem CID10296399
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Oc1ccc2nn(C)nc2c1)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C24H25N5O3/c1-15(16-7-9-17(10-8-16)24(2,3)31)26-22(30)19-6-5-13-25-23(19)32-18-11-12-20-21(14-18)28-29(4)27-20/h5-15,31H,1-4H3,(H,26,30)/t15-/m1/s1
InChIKeyBNDIZFRYWFDJLC-OAHLLOKOSA-N
XLogP3.87
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
CID 10180834
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69418387
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 10296916
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 62876323
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
methyl 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69419054
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-(4-fluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 18734935
N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 123680885
4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11697738

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide (CID 10296399) is N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1Oc1ccc2nn(C)nc2c1)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
The InChIKey is BNDIZFRYWFDJLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15(16-7-9-17(10-8-16)24(2,3)31)26-22(30)19-6-5-13-25-23(19)32-18-11-12-20-21(14-18)28-29(4)27-20/h5-15,31H,1-4H3,(H,26,30)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide is sourced from PubChem (CID 10296399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).