4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide

C24H24ClN7O2 — CID 134178487

IUPAC4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)Nc1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(=O)NCc1c(C)cc(N)nc1C
InChIInChI=1S/C24H24ClN7O2/c1-13-6-22(26)29-14(2)19(13)10-28-24(34)23-21(30-15(3)33)12-32(31-23)11-16-4-5-20-17(7-16)8-18(25)9-27-20/h4-9,12H,10-11H2,1-3H3,(H2,26,29)(H,28,34)(H,30,33)
InChIKeyBNAQXULXFFGAMA-UHFFFAOYSA-N
MW477.96 g/mol
LogP3.62
Rot. Bonds6

About 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide

4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide (PubChem CID 134178487) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
PubChem CID134178487
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)Nc1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(=O)NCc1c(C)cc(N)nc1C
InChIInChI=1S/C24H24ClN7O2/c1-13-6-22(26)29-14(2)19(13)10-28-24(34)23-21(30-15(3)33)12-32(31-23)11-16-4-5-20-17(7-16)8-18(25)9-27-20/h4-9,12H,10-11H2,1-3H3,(H2,26,29)(H,28,34)(H,30,33)
InChIKeyBNAQXULXFFGAMA-UHFFFAOYSA-N
XLogP3.62
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide (CID 134178487) is 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide is CC(=O)Nc1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(=O)NCc1c(C)cc(N)nc1C.
What is the InChIKey of 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is BNAQXULXFFGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-13-6-22(26)29-14(2)19(13)10-28-24(34)23-21(30-15(3)33)12-32(31-23)11-16-4-5-20-17(7-16)8-18(25)9-27-20/h4-9,12H,10-11H2,1-3H3,(H2,26,29)(H,28,34)(H,30,33).
What are the key properties of 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide?
4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 477.96 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 134178487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).