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

C21H18ClN5O2 — CID 134178093

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1coc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)26-12)9-25-21(28)18-11-29-20(27-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,26)(H,25,28)
InChIKeySTTJLBAGARXCNC-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.68
Rot. Bonds5

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 134178093) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID134178093
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1coc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)26-12)9-25-21(28)18-11-29-20(27-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,26)(H,25,28)
InChIKeySTTJLBAGARXCNC-UHFFFAOYSA-N
XLogP3.68
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide
CID 58081230
US10301284, Example 37
CID 134178522
US10301284, Example 31
CID 134178003
US10301284, Example 84
CID 134178094
US10301284, Example 114
CID 134178172
US10301284, Example 30
CID 134178225
US10301284, Example 29
CID 134178511
US10301284, Example 88
CID 134178599
US10301284, Example 90
CID 134178649
US10301284, Example 79
CID 134178763
US10301284, Example 87
CID 134178781
2-[(1R)-1-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide
CID 53850924

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide (CID 134178093) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1coc(Cc2ccc3ncc(Cl)cc3c2)n1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is STTJLBAGARXCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)26-12)9-25-21(28)18-11-29-20(27-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,26)(H,25,28).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 3.68, 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-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134178093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).