7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide

C19H25N3O2 — CID 119864464

IUPAC7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
SMILESCc1cc(NC(=O)CCCCCCN)ccc1Oc1cccnc1
InChIInChI=1S/C19H25N3O2/c1-15-13-16(22-19(23)8-4-2-3-5-11-20)9-10-18(15)24-17-7-6-12-21-14-17/h6-7,9-10,12-14H,2-5,8,11,20H2,1H3,(H,22,23)
InChIKeyFJUNWMVQXCLZLM-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.03
Rot. Bonds9

About 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide

7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide (PubChem CID 119864464) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
PubChem CID119864464
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
SMILESCc1cc(NC(=O)CCCCCCN)ccc1Oc1cccnc1
InChIInChI=1S/C19H25N3O2/c1-15-13-16(22-19(23)8-4-2-3-5-11-20)9-10-18(15)24-17-7-6-12-21-14-17/h6-7,9-10,12-14H,2-5,8,11,20H2,1H3,(H,22,23)
InChIKeyFJUNWMVQXCLZLM-UHFFFAOYSA-N
XLogP4.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581147
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581120
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581261
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 60581087
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581004
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120799083
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60581340
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide?
The IUPAC name of 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide (CID 119864464) is 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide is Cc1cc(NC(=O)CCCCCCN)ccc1Oc1cccnc1.
What is the InChIKey of 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide?
The InChIKey is FJUNWMVQXCLZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-13-16(22-19(23)8-4-2-3-5-11-20)9-10-18(15)24-17-7-6-12-21-14-17/h6-7,9-10,12-14H,2-5,8,11,20H2,1H3,(H,22,23).
What are the key properties of 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide?
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide has a molecular weight of 327.43 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide is sourced from PubChem (CID 119864464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).