N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

C18H18N6O2 — CID 154635316

IUPACN-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)c(-n2cnnn2)c1)c1ccncc1
InChIInChI=1S/C18H18N6O2/c25-18(13-7-9-19-10-8-13)21-14-5-6-17(26-15-3-1-2-4-15)16(11-14)24-12-20-22-23-24/h5-12,15H,1-4H2,(H,21,25)
InChIKeyYMDZCFDFNSDZFH-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.63
Rot. Bonds5

About N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 154635316) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID154635316
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)c(-n2cnnn2)c1)c1ccncc1
InChIInChI=1S/C18H18N6O2/c25-18(13-7-9-19-10-8-13)21-14-5-6-17(26-15-3-1-2-4-15)16(11-14)24-12-20-22-23-24/h5-12,15H,1-4H2,(H,21,25)
InChIKeyYMDZCFDFNSDZFH-UHFFFAOYSA-N
XLogP2.63
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 154635316) is N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(OC2CCCC2)c(-n2cnnn2)c1)c1ccncc1.
What is the InChIKey of N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is YMDZCFDFNSDZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(13-7-9-19-10-8-13)21-14-5-6-17(26-15-3-1-2-4-15)16(11-14)24-12-20-22-23-24/h5-12,15H,1-4H2,(H,21,25).
What are the key properties of N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154635316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).