N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide

C22H17ClN6O2 — CID 134178599

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
InChIInChI=1S/C22H17ClN6O2/c1-12-14(3-5-19(25)28-12)10-27-22(30)21-18(9-24)29-20(31-21)7-13-2-4-17-15(6-13)8-16(23)11-26-17/h2-6,8,11H,7,10H2,1H3,(H2,25,28)(H,27,30)
InChIKeyIYMMAGWPLVXHAE-UHFFFAOYSA-N
MW432.87 g/mol
LogP3.55
Rot. Bonds5

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide (PubChem CID 134178599) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide
PubChem CID134178599
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
InChIInChI=1S/C22H17ClN6O2/c1-12-14(3-5-19(25)28-12)10-27-22(30)21-18(9-24)29-20(31-21)7-13-2-4-17-15(6-13)8-16(23)11-26-17/h2-6,8,11H,7,10H2,1H3,(H2,25,28)(H,27,30)
InChIKeyIYMMAGWPLVXHAE-UHFFFAOYSA-N
XLogP3.55
TPSA130.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide (CID 134178599) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide is Cc1nc(N)ccc1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C#N.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide?
The InChIKey is IYMMAGWPLVXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c1-12-14(3-5-19(25)28-12)10-27-22(30)21-18(9-24)29-20(31-21)7-13-2-4-17-15(6-13)8-16(23)11-26-17/h2-6,8,11H,7,10H2,1H3,(H2,25,28)(H,27,30).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-cyano-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134178599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).