N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide

C22H24Cl2N6O — CID 164624443

IUPACN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cncc(-c2cc(Cl)cc(Cl)c2)c1N1CCC(N)CC1
InChIInChI=1S/C22H24Cl2N6O/c1-13-19(12-29(2)28-13)22(31)27-20-11-26-10-18(14-7-15(23)9-16(24)8-14)21(20)30-5-3-17(25)4-6-30/h7-12,17H,3-6,25H2,1-2H3,(H,27,31)
InChIKeyUEQNWYDMBKIAFK-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.28
Rot. Bonds4

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

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 164624443) has the molecular formula C22H24Cl2N6O and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID164624443
Molecular FormulaC22H24Cl2N6O
Molecular Weight459.38 g/mol
Exact Mass458.14
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cncc(-c2cc(Cl)cc(Cl)c2)c1N1CCC(N)CC1
InChIInChI=1S/C22H24Cl2N6O/c1-13-19(12-29(2)28-13)22(31)27-20-11-26-10-18(14-7-15(23)9-16(24)8-14)21(20)30-5-3-17(25)4-6-30/h7-12,17H,3-6,25H2,1-2H3,(H,27,31)
InChIKeyUEQNWYDMBKIAFK-UHFFFAOYSA-N
XLogP4.28
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide (CID 164624443) is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cncc(-c2cc(Cl)cc(Cl)c2)c1N1CCC(N)CC1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is UEQNWYDMBKIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O/c1-13-19(12-29(2)28-13)22(31)27-20-11-26-10-18(14-7-15(23)9-16(24)8-14)21(20)30-5-3-17(25)4-6-30/h7-12,17H,3-6,25H2,1-2H3,(H,27,31).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 459.38 g/mol, XLogP of 4.28, 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-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 164624443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).