6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide

C21H22N4O2 — CID 166260625

IUPAC6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)c1ccc(C2CCC2)nc1
InChIInChI=1S/C21H22N4O2/c26-21(17-8-9-18(23-14-17)16-4-3-5-16)24-19-6-1-2-7-20(19)27-13-12-25-11-10-22-15-25/h1-2,6-11,14-16H,3-5,12-13H2,(H,24,26)
InChIKeyBTPXVMKYNZBNTL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.88
Rot. Bonds7

About 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide

6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 166260625) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
PubChem CID166260625
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)c1ccc(C2CCC2)nc1
InChIInChI=1S/C21H22N4O2/c26-21(17-8-9-18(23-14-17)16-4-3-5-16)24-19-6-1-2-7-20(19)27-13-12-25-11-10-22-15-25/h1-2,6-11,14-16H,3-5,12-13H2,(H,24,26)
InChIKeyBTPXVMKYNZBNTL-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
5-bromo-2-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166393970
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 47789737
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
N-[2-(2-imidazol-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119862204
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-[1-(methoxymethyl)cyclobutyl]urea
CID 131961558

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide (CID 166260625) is 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1OCCn1ccnc1)c1ccc(C2CCC2)nc1.
What is the InChIKey of 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is BTPXVMKYNZBNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(17-8-9-18(23-14-17)16-4-3-5-16)24-19-6-1-2-7-20(19)27-13-12-25-11-10-22-15-25/h1-2,6-11,14-16H,3-5,12-13H2,(H,24,26).
What are the key properties of 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 166260625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).