N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C17H19N7O — CID 894053

IUPACN-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCn1nnc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C17H19N7O/c1-22-15-6-5-13(12-14(15)20-21-22)19-17(25)24-10-8-23(9-11-24)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3,(H,19,25)
InChIKeyUWQBSZZPNRGLER-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.72
Rot. Bonds2

About N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 894053) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID894053
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCn1nnc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C17H19N7O/c1-22-15-6-5-13(12-14(15)20-21-22)19-17(25)24-10-8-23(9-11-24)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3,(H,19,25)
InChIKeyUWQBSZZPNRGLER-UHFFFAOYSA-N
XLogP1.72
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 893544
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
1-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4902774
N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 71704653

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 894053) is N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is Cn1nnc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is UWQBSZZPNRGLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-22-15-6-5-13(12-14(15)20-21-22)19-17(25)24-10-8-23(9-11-24)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3,(H,19,25).
What are the key properties of N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 894053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).