N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide

C24H25N7O — CID 15658011

IUPACN-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(C)=O
InChIInChI=1S/C24H25N7O/c1-3-15-31(24-22(26-17(2)32)9-6-14-25-24)16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)23-27-29-30-28-23/h4-14H,3,15-16H2,1-2H3,(H,26,32)(H,27,28,29,30)
InChIKeyISFHRVHLINRCJT-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.30
Rot. Bonds8

About N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide

N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide (PubChem CID 15658011) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
PubChem CID15658011
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(C)=O
InChIInChI=1S/C24H25N7O/c1-3-15-31(24-22(26-17(2)32)9-6-14-25-24)16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)23-27-29-30-28-23/h4-14H,3,15-16H2,1-2H3,(H,26,32)(H,27,28,29,30)
InChIKeyISFHRVHLINRCJT-UHFFFAOYSA-N
XLogP4.30
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide (CID 15658011) is N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(C)=O.
What is the InChIKey of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
The InChIKey is ISFHRVHLINRCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-3-15-31(24-22(26-17(2)32)9-6-14-25-24)16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)23-27-29-30-28-23/h4-14H,3,15-16H2,1-2H3,(H,26,32)(H,27,28,29,30).
What are the key properties of N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 15658011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).