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

C25H24ClN5O — CID 118665211

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2c(C)cc(N)nc2C)cc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32)
InChIKeyWDMJJASBQUYWJX-UHFFFAOYSA-N
MW445.95 g/mol
LogP4.71
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide (PubChem CID 118665211) has the molecular formula C25H24ClN5O and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide
PubChem CID118665211
Molecular FormulaC25H24ClN5O
Molecular Weight445.95 g/mol
Exact Mass445.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2c(C)cc(N)nc2C)cc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32)
InChIKeyWDMJJASBQUYWJX-UHFFFAOYSA-N
XLogP4.71
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.71
H-Bond Donors ≤ 52
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]-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide (CID 118665211) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2c(C)cc(N)nc2C)cc(Cc2ccc3ncc(Cl)cc3c2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is WDMJJASBQUYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 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]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 118665211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).