N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide

C18H21N7O — CID 118793204

IUPACN-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCc1cccnc1CN1CCN(C(=O)Nc2cccc3n[nH]nc23)CC1
InChIInChI=1S/C18H21N7O/c1-13-4-3-7-19-16(13)12-24-8-10-25(11-9-24)18(26)20-14-5-2-6-15-17(14)22-23-21-15/h2-7H,8-12H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyPNTANDAJDCEWPG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.01
Rot. Bonds3

About N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide

N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 118793204) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID118793204
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCc1cccnc1CN1CCN(C(=O)Nc2cccc3n[nH]nc23)CC1
InChIInChI=1S/C18H21N7O/c1-13-4-3-7-19-16(13)12-24-8-10-25(11-9-24)18(26)20-14-5-2-6-15-17(14)22-23-21-15/h2-7H,8-12H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyPNTANDAJDCEWPG-UHFFFAOYSA-N
XLogP2.01
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 72933011
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
CID 72868148
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
4-[(1-methylimidazol-2-yl)methyl]-N-quinolin-5-ylpiperazine-1-carboxamide
CID 72853474
N-(3-chloro-2-methylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434250
N-(2-chlorophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434228
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 95881067
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide (CID 118793204) is N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide is Cc1cccnc1CN1CCN(C(=O)Nc2cccc3n[nH]nc23)CC1.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is PNTANDAJDCEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-4-3-7-19-16(13)12-24-8-10-25(11-9-24)18(26)20-14-5-2-6-15-17(14)22-23-21-15/h2-7H,8-12H2,1H3,(H,20,26)(H,21,22,23).
What are the key properties of N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide?
N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 118793204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).