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

C21H18ClN5O2 — CID 134178649

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)27-12)9-26-21(28)18-11-25-20(29-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,26,28)
InChIKeyIDSATTJBDHIOKY-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-5-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 134178649) 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-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID134178649
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-5-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)27-12)9-26-21(28)18-11-25-20(29-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,26,28)
InChIKeyIDSATTJBDHIOKY-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

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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]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide (CID 134178649) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-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]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1nc(N)ccc1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IDSATTJBDHIOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)27-12)9-26-21(28)18-11-25-20(29-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,26,28).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-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-5-carboxamide is sourced from PubChem (CID 134178649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).