N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide

C21H31N5O2Si — CID 155632598

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)nc1
InChIInChI=1S/C21H31N5O2Si/c1-21(2,3)29(4,5)28-18-8-9-19(23-16-18)24-20(27)26-13-11-25(12-14-26)17-7-6-10-22-15-17/h6-10,15-16H,11-14H2,1-5H3,(H,23,24,27)
InChIKeyPEMYCWPUMNSCOS-UHFFFAOYSA-N
MW413.60 g/mol
LogP4.21
Rot. Bonds4

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 155632598) has the molecular formula C21H31N5O2Si and a molecular weight of 413.60 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID155632598
Molecular FormulaC21H31N5O2Si
Molecular Weight413.60 g/mol
Exact Mass413.22
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)nc1
InChIInChI=1S/C21H31N5O2Si/c1-21(2,3)29(4,5)28-18-8-9-19(23-16-18)24-20(27)26-13-11-25(12-14-26)17-7-6-10-22-15-17/h6-10,15-16H,11-14H2,1-5H3,(H,23,24,27)
InChIKeyPEMYCWPUMNSCOS-UHFFFAOYSA-N
XLogP4.21
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 155632677
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 155632630
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride
CID 159942078
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 161263734
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 151857612
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 159381922
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 159296515
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylindazol-4-yl)piperazine-1-carboxamide;oxolane;hydrochloride
CID 162236291
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
N-phenyl-4-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 118068179
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide (CID 155632598) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is PEMYCWPUMNSCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2Si/c1-21(2,3)29(4,5)28-18-8-9-19(23-16-18)24-20(27)26-13-11-25(12-14-26)17-7-6-10-22-15-17/h6-10,15-16H,11-14H2,1-5H3,(H,23,24,27).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 413.60 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 155632598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).