N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide

C33H32N8O — CID 162468495

IUPACN-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide
SMILESCCCN(Cc1ccccc1)c1cc(NC(=O)Cc2cn(C)c3ccccc23)cc(-c2ccccc2-c2nn[nH]n2)n1
InChIInChI=1S/C33H32N8O/c1-3-17-41(21-23-11-5-4-6-12-23)31-20-25(34-32(42)18-24-22-40(2)30-16-10-9-13-26(24)30)19-29(35-31)27-14-7-8-15-28(27)33-36-38-39-37-33/h4-16,19-20,22H,3,17-18,21H2,1-2H3,(H,34,35,42)(H,36,37,38,39)
InChIKeyVUEFZAFECRLKSV-UHFFFAOYSA-N
MW556.67 g/mol
LogP6.02
Rot. Bonds10

About N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide

N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 162468495) has the molecular formula C33H32N8O and a molecular weight of 556.67 g/mol. Its IUPAC name is N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID162468495
Molecular FormulaC33H32N8O
Molecular Weight556.67 g/mol
Exact Mass556.27
IUPAC NameN-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide
SMILESCCCN(Cc1ccccc1)c1cc(NC(=O)Cc2cn(C)c3ccccc23)cc(-c2ccccc2-c2nn[nH]n2)n1
InChIInChI=1S/C33H32N8O/c1-3-17-41(21-23-11-5-4-6-12-23)31-20-25(34-32(42)18-24-22-40(2)30-16-10-9-13-26(24)30)19-29(35-31)27-14-7-8-15-28(27)33-36-38-39-37-33/h4-16,19-20,22H,3,17-18,21H2,1-2H3,(H,34,35,42)(H,36,37,38,39)
InChIKeyVUEFZAFECRLKSV-UHFFFAOYSA-N
XLogP6.02
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylsulfonylphenyl)acetamide
CID 162468454
N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide
CID 162468447
1-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-(6-methyl-3-pyridinyl)urea
CID 162468395
N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide
CID 146310815
N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(3,4-difluorophenyl)acetamide
CID 162468411
1-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162468420
1-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 162468387
N-[2-[benzyl(propyl)amino]-6-[2-[(Z)-N'-hydrazinylcarbamimidoyl]phenyl]-4-pyridinyl]-2-[5-(bromomethyl)-3-pyridinyl]acetamide
CID 146320702
2-[6-[benzyl(propyl)amino]-4-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]-N-cyclopropylsulfanylbenzamide
CID 146320680
1-[2-[benzyl(ethyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-yl]-3-pyrimidin-5-ylurea
CID 146310767
4-[[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]amino]-3-fluorobenzoic acid
CID 162468399
N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine
CID 146310760

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide (CID 162468495) is N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide is CCCN(Cc1ccccc1)c1cc(NC(=O)Cc2cn(C)c3ccccc23)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-(1-methylindol-3-yl)acetamide?
The InChIKey is VUEFZAFECRLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O/c1-3-17-41(21-23-11-5-4-6-12-23)31-20-25(34-32(42)18-24-22-40(2)30-16-10-9-13-26(24)30)19-29(35-31)27-14-7-8-15-28(27)33-36-38-39-37-33/h4-16,19-20,22H,3,17-18,21H2,1-2H3,(H,34,35,42)(H,36,37,38,39).
What are the key properties of N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide?
N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 556.67 g/mol, XLogP of 6.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 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-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 162468495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).