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

C23H23ClN6O — CID 134177927

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)n1C
InChIInChI=1S/C23H23ClN6O/c1-13-6-21(25)29-14(2)18(13)11-28-23(31)20-12-27-22(30(20)3)8-15-4-5-19-16(7-15)9-17(24)10-26-19/h4-7,9-10,12H,8,11H2,1-3H3,(H2,25,29)(H,28,31)
InChIKeyJKDTYUNBKGFNIV-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.74
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide (PubChem CID 134177927) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide
PubChem CID134177927
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)n1C
InChIInChI=1S/C23H23ClN6O/c1-13-6-21(25)29-14(2)18(13)11-28-23(31)20-12-27-22(30(20)3)8-15-4-5-19-16(7-15)9-17(24)10-26-19/h4-7,9-10,12H,8,11H2,1-3H3,(H2,25,29)(H,28,31)
InChIKeyJKDTYUNBKGFNIV-UHFFFAOYSA-N
XLogP3.74
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide (CID 134177927) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)n1C.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide?
The InChIKey is JKDTYUNBKGFNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-13-6-21(25)29-14(2)18(13)11-28-23(31)20-12-27-22(30(20)3)8-15-4-5-19-16(7-15)9-17(24)10-26-19/h4-7,9-10,12H,8,11H2,1-3H3,(H2,25,29)(H,28,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 134177927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).