(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide

C17H25N5O — CID 843354

IUPAC(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCCC1)C12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2
InChIInChI=1S/C17H25N5O/c23-15(20-14-3-1-2-4-14)16-6-12-5-13(7-16)9-17(8-12,10-16)22-19-11-18-21-22/h11-14H,1-10H2,(H,20,23)/t12-,13+,16?,17?
InChIKeyDUCBMBFDCPZSMX-ZPVISIIKSA-N
MW315.42 g/mol
LogP2.03
Rot. Bonds3

About (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide

(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide (PubChem CID 843354) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide
PubChem CID843354
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCCC1)C12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2
InChIInChI=1S/C17H25N5O/c23-15(20-14-3-1-2-4-14)16-6-12-5-13(7-16)9-17(8-12,10-16)22-19-11-18-21-22/h11-14H,1-10H2,(H,20,23)/t12-,13+,16?,17?
InChIKeyDUCBMBFDCPZSMX-ZPVISIIKSA-N
XLogP2.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide (CID 843354) is (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide is O=C(NC1CCCC1)C12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2.
What is the InChIKey of (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide?
The InChIKey is DUCBMBFDCPZSMX-ZPVISIIKSA-N. The full InChI is InChI=1S/C17H25N5O/c23-15(20-14-3-1-2-4-14)16-6-12-5-13(7-16)9-17(8-12,10-16)22-19-11-18-21-22/h11-14H,1-10H2,(H,20,23)/t12-,13+,16?,17?.
What are the key properties of (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide?
(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 843354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).