N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride

C19H25Cl2N3O2 — CID 119475519

IUPACN-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2cncc(C(=O)NC3CCC(N)CC3)c2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-8-2-13(3-9-18)14-10-15(12-21-11-14)19(23)22-17-6-4-16(20)5-7-17;;/h2-3,8-12,16-17H,4-7,20H2,1H3,(H,22,23);2*1H
InChIKeyJYJWIOSLJJBQDB-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.60
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119475519) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119475519
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2cncc(C(=O)NC3CCC(N)CC3)c2)cc1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-8-2-13(3-9-18)14-10-15(12-21-11-14)19(23)22-17-6-4-16(20)5-7-17;;/h2-3,8-12,16-17H,4-7,20H2,1H3,(H,22,23);2*1H
InChIKeyJYJWIOSLJJBQDB-UHFFFAOYSA-N
XLogP3.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777
N-cyclopropyl-5-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 117086611
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
5-N-cyclopropyl-3-N-(2,4-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109101658
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119622551
5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119452546
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride (CID 119475519) is N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride is COc1ccc(-c2cncc(C(=O)NC3CCC(N)CC3)c2)cc1.Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is JYJWIOSLJJBQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-24-18-8-2-13(3-9-18)14-10-15(12-21-11-14)19(23)22-17-6-4-16(20)5-7-17;;/h2-3,8-12,16-17H,4-7,20H2,1H3,(H,22,23);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119475519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).