(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

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

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Related Compounds

N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 25454870
6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide
CID 56745926
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 134032020

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).