N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C22H25N5O2 — CID 118057618

IUPACN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)cc(-c2cncc(NC(=O)c3cocn3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-14-7-15(2)9-16(8-14)18-10-24-11-19(26-22(28)20-12-29-13-25-20)21(18)27-5-3-17(23)4-6-27/h7-13,17H,3-6,23H2,1-2H3,(H,26,28)
InChIKeyYSNWMGGLGXHRQH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 118057618) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID118057618
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)cc(-c2cncc(NC(=O)c3cocn3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-14-7-15(2)9-16(8-14)18-10-24-11-19(26-22(28)20-12-29-13-25-20)21(18)27-5-3-17(23)4-6-27/h7-13,17H,3-6,23H2,1-2H3,(H,26,28)
InChIKeyYSNWMGGLGXHRQH-UHFFFAOYSA-N
XLogP3.53
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide
CID 118057726
4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-N-(4,6-dimethyl-2-pyridinyl)pyridine-3-carboxamide
CID 118057845
4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylphenyl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 118057638
methyl N-[5-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-chloro-3-pyridinyl]carbamate
CID 155295544
[1-[3-(3,5-dimethylphenyl)-5-iodo-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 118057729
1-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057566
1-[3-(3,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057586
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 72943279
1-[3-(3,5-dimethylphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164623072
1-[3-(3-fluoro-5-methylphenyl)-5-(3-methoxy-4-methylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057706
1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine
CID 118312908
N-[3-(2-amino-4-pyridinyl)-6-(4-fluoropiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 142796791

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 118057618) is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is Cc1cc(C)cc(-c2cncc(NC(=O)c3cocn3)c2N2CCC(N)CC2)c1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YSNWMGGLGXHRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-7-15(2)9-16(8-14)18-10-24-11-19(26-22(28)20-12-29-13-25-20)21(18)27-5-3-17(23)4-6-27/h7-13,17H,3-6,23H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118057618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).