3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide

C19H23N3O2 — CID 119849038

IUPAC3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCC(N)C3)cn2)cc1C
InChIInChI=1S/C19H23N3O2/c1-12-3-7-17(9-13(12)2)24-18-8-6-16(11-21-18)22-19(23)14-4-5-15(20)10-14/h3,6-9,11,14-15H,4-5,10,20H2,1-2H3,(H,22,23)
InChIKeyAUUDNUWYQGPBDK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.56
Rot. Bonds4

About 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide

3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 119849038) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
PubChem CID119849038
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCC(N)C3)cn2)cc1C
InChIInChI=1S/C19H23N3O2/c1-12-3-7-17(9-13(12)2)24-18-8-6-16(11-21-18)22-19(23)14-4-5-15(20)10-14/h3,6-9,11,14-15H,4-5,10,20H2,1-2H3,(H,22,23)
InChIKeyAUUDNUWYQGPBDK-UHFFFAOYSA-N
XLogP3.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55787508
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
3-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 119753519
(2R,3S)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939088
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893223

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide (CID 119849038) is 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide is Cc1ccc(Oc2ccc(NC(=O)C3CCC(N)C3)cn2)cc1C.
What is the InChIKey of 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is AUUDNUWYQGPBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-3-7-17(9-13(12)2)24-18-8-6-16(11-21-18)22-19(23)14-4-5-15(20)10-14/h3,6-9,11,14-15H,4-5,10,20H2,1-2H3,(H,22,23).
What are the key properties of 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide?
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119849038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).