N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide

C22H21ClN6O — CID 134178458

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
InChIInChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyHEBXTXYICXOMQA-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.73
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 134178458) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide
PubChem CID134178458
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
InChIInChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyHEBXTXYICXOMQA-UHFFFAOYSA-N
XLogP3.73
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide (CID 134178458) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is HEBXTXYICXOMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 134178458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).