N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide

C18H20N6O2 — CID 77091232

IUPACN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NCC(c1ccccn1)N1CCOCC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H20N6O2/c25-18(13-4-5-14-16(11-13)22-23-21-14)20-12-17(15-3-1-2-6-19-15)24-7-9-26-10-8-24/h1-6,11,17H,7-10,12H2,(H,20,25)(H,21,22,23)
InChIKeyWRQOAQZRTUAYJD-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.16
Rot. Bonds5

About N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide (PubChem CID 77091232) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
PubChem CID77091232
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NCC(c1ccccn1)N1CCOCC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H20N6O2/c25-18(13-4-5-14-16(11-13)22-23-21-14)20-12-17(15-3-1-2-6-19-15)24-7-9-26-10-8-24/h1-6,11,17H,7-10,12H2,(H,20,25)(H,21,22,23)
InChIKeyWRQOAQZRTUAYJD-UHFFFAOYSA-N
XLogP1.16
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
3-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504455
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 131898064
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
CID 99941083
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 99960169
4-hydroxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 77094687
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 46578774
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 119069884

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide (CID 77091232) is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide is O=C(NCC(c1ccccn1)N1CCOCC1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is WRQOAQZRTUAYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(13-4-5-14-16(11-13)22-23-21-14)20-12-17(15-3-1-2-6-19-15)24-7-9-26-10-8-24/h1-6,11,17H,7-10,12H2,(H,20,25)(H,21,22,23).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide?
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 77091232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).