N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide

C25H25ClFN5O3 — CID 139330005

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)(C)O
InChIInChI=1S/C25H25ClFN5O3/c1-12-5-19(28)31-13(2)17(12)11-30-24(33)22-23(25(3,4)34)32-20(35-22)8-14-6-15-9-16(26)10-29-21(15)18(27)7-14/h5-7,9-10,34H,8,11H2,1-4H3,(H2,28,31)(H,30,33)
InChIKeyACVCPDMGKRVDID-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.36
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 139330005) has the molecular formula C25H25ClFN5O3 and a molecular weight of 497.96 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide
PubChem CID139330005
Molecular FormulaC25H25ClFN5O3
Molecular Weight497.96 g/mol
Exact Mass497.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)(C)O
InChIInChI=1S/C25H25ClFN5O3/c1-12-5-19(28)31-13(2)17(12)11-30-24(33)22-23(25(3,4)34)32-20(35-22)8-14-6-15-9-16(26)10-29-21(15)18(27)7-14/h5-7,9-10,34H,8,11H2,1-4H3,(H2,28,31)(H,30,33)
InChIKeyACVCPDMGKRVDID-UHFFFAOYSA-N
XLogP4.36
TPSA127.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide (CID 139330005) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(C)(C)O.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is ACVCPDMGKRVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O3/c1-12-5-19(28)31-13(2)17(12)11-30-24(33)22-23(25(3,4)34)32-20(35-22)8-14-6-15-9-16(26)10-29-21(15)18(27)7-14/h5-7,9-10,34H,8,11H2,1-4H3,(H2,28,31)(H,30,33).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 497.96 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-(2-hydroxypropan-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139330005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).