N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide

C28H32N8O2 — CID 162468447

IUPACN-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCCCN(Cc1ccccc1)c1cc(NC(=O)CN2CCOCC2)cc(-c2ccccc2-c2nn[nH]n2)n1
InChIInChI=1S/C28H32N8O2/c1-2-12-36(19-21-8-4-3-5-9-21)26-18-22(29-27(37)20-35-13-15-38-16-14-35)17-25(30-26)23-10-6-7-11-24(23)28-31-33-34-32-28/h3-11,17-18H,2,12-16,19-20H2,1H3,(H,29,30,37)(H,31,32,33,34)
InChIKeyXZVLHTRLKUMKPX-UHFFFAOYSA-N
MW512.62 g/mol
LogP3.62
Rot. Bonds10

About N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide

N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 162468447) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID162468447
Molecular FormulaC28H32N8O2
Molecular Weight512.62 g/mol
Exact Mass512.26
IUPAC NameN-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCCCN(Cc1ccccc1)c1cc(NC(=O)CN2CCOCC2)cc(-c2ccccc2-c2nn[nH]n2)n1
InChIInChI=1S/C28H32N8O2/c1-2-12-36(19-21-8-4-3-5-9-21)26-18-22(29-27(37)20-35-13-15-38-16-14-35)17-25(30-26)23-10-6-7-11-24(23)28-31-33-34-32-28/h3-11,17-18H,2,12-16,19-20H2,1H3,(H,29,30,37)(H,31,32,33,34)
InChIKeyXZVLHTRLKUMKPX-UHFFFAOYSA-N
XLogP3.62
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.62
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(3,4-difluorophenyl)acetamide
CID 162468411
6-oxo-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1H-pyridine-3-carboxylic acid
CID 15657962
2-[6-[benzyl(propyl)amino]-4-(hydroxyamino)-2-pyridinyl]benzamide;(4-methylphenyl)azanide;yttrium
CID 153397341
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-[[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]amino]benzonitrile
CID 162468448
N-[2-[benzyl(propyl)amino]-6-[2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]-4-pyridinyl]-2-[5-(bromomethyl)-3-pyridinyl]acetamide
CID 146320702
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
1-butyl-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68517977
N-butyl-2-chloro-6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19791758
1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 139656062
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide (CID 162468447) is N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide is CCCN(Cc1ccccc1)c1cc(NC(=O)CN2CCOCC2)cc(-c2ccccc2-c2nn[nH]n2)n1.
What is the InChIKey of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is XZVLHTRLKUMKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-2-12-36(19-21-8-4-3-5-9-21)26-18-22(29-27(37)20-35-13-15-38-16-14-35)17-25(30-26)23-10-6-7-11-24(23)28-31-33-34-32-28/h3-11,17-18H,2,12-16,19-20H2,1H3,(H,29,30,37)(H,31,32,33,34).
What are the key properties of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide?
N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 512.62 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 162468447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).