(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide

C19H23N9O — CID 56746760

IUPAC(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1)n1cnnn1
InChIInChI=1S/C19H23N9O/c1-15(28-14-23-24-25-28)19(29)22-13-16-5-4-8-21-18(16)27-11-9-26(10-12-27)17-6-2-3-7-20-17/h2-8,14-15H,9-13H2,1H3,(H,22,29)/t15-/m0/s1
InChIKeyJMOVMCHOWHBVPZ-HNNXBMFYSA-N
MW393.46 g/mol
LogP0.67
Rot. Bonds6

About (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide

(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 56746760) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID56746760
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1)n1cnnn1
InChIInChI=1S/C19H23N9O/c1-15(28-14-23-24-25-28)19(29)22-13-16-5-4-8-21-18(16)27-11-9-26(10-12-27)17-6-2-3-7-20-17/h2-8,14-15H,9-13H2,1H3,(H,22,29)/t15-/m0/s1
InChIKeyJMOVMCHOWHBVPZ-HNNXBMFYSA-N
XLogP0.67
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide (CID 56746760) is (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide is C[C@@H](C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1)n1cnnn1.
What is the InChIKey of (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is JMOVMCHOWHBVPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N9O/c1-15(28-14-23-24-25-28)19(29)22-13-16-5-4-8-21-18(16)27-11-9-26(10-12-27)17-6-2-3-7-20-17/h2-8,14-15H,9-13H2,1H3,(H,22,29)/t15-/m0/s1.
What are the key properties of (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide?
(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 393.46 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 56746760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).